NICS Projects

Below is a list of NICS current allocation research projects by title. You can search the page by PI, title or keyword to find projects.

1. Next Generation Integrative Information Technologies High Throughput Generation and Analysis of Petascale Featuresets

   Joel Saltz (SUNY at Stony Brook)

   Field of Science: Cross-Disciplinary Activities

2. High-resolution computational modeling and design of membrane proteins

   Patrick Barth (Baylor College of Medicine)

   Field of Science: Molecular Biosciences

3. Campus Champion University of Notre Dame

   Paul Brenner (University of Notre Dame)

   Field of Science: Computer and Computation Research

4. Campus Champion for University of Chicago

   Daniel Katz (University of Chicago)

   Field of Science: Training

5. SC14 demos

   Sean Ahern (University of Tennessee, Knoxville)

   Field of Science: Training

6. Coupling climate and hydrological models: interoperability through web services

   Cecelia DeLuca (University of Colorado)

   Field of Science: Computer and Computation Research

7. Developing General Strategies for GPUbased Acceleration of Irregular Programs

   Martin Burtscher (Texas State University)

   Field of Science: Computer and Computation Research

8. Developing GPUaccelerated Cosmological Nbody Simulations

   Benjamin Wibking (Ohio State University)

   Field of Science: Astronomical Sciences

9. Simulations of Poly-arylene Polymers and Carbon Nanotubes

   Jeffery Saven (University of Pennsylvania)

   Field of Science: Chemistry

10. Advanced modeling of nano-scale carbon and methalized carbon materials for the

    Jacek Jakowski (Oak Ridge National Laboratory)

    Field of Science: Materials Research

11. Modeling Conjugated Polymers

    Kateri DuBay (Columbia University in the City of New York)

    Field of Science: Chemistry

12. Bio-physical Modeling development for the fishery recruitment

    Meng Xia (University of Maryland, Eastern Shore)

    Field of Science: Ocean Sciences

13. Enumerating protein and RNA 3D structures with atomic accuracy

    Rhiju Das (Stanford University)

    Field of Science: Molecular Biosciences

14. Development of Data Analyses Pipeline for High Throughput DNA Sequencing

    Bhanu Rekepalli (other)

    Field of Science: Environmental Biology

15. Next Generation Integrative Information Technologies Petascale Featuresets and Semantically Enabled Machine Learning

    Joel Saltz (SUNY at Stony Brook)

    Field of Science: Advanced Scientific Computing

16. Galaxy Evolution and Black Hole Feedback

    Amit Kashi (University of Nevada-Las Vegas)

    Field of Science: Astronomical Sciences

17. Assessment and Application of Atomistic Monte Carlo: Benchmarking with MD

    Roger Stoller (University of Tennessee, Knoxville)

    Field of Science: Materials Research

18. Simulations of Protein Aggregation

    Joan-Emma Shea (University of California-Santa Barbara)

    Field of Science: Molecular Biosciences

19. 3D Core-collapse Supernova Simulations

    Adam Burrows (Princeton University)

    Field of Science: Astronomical Sciences

20. Campus Champions for OSU

    Dana Brunson (Oklahoma State University)

    Field of Science: Computer and Computation Research

21. Instability, Turbulence, and Transport in Protoplanetary Disks

    Jeffrey Oishi (American Museum of Natural History)

    Field of Science: Astronomical Sciences

22. Petascale computations in mineral physics with the Quantum ESPRESSO

    Renata Wentzcovitch (University of Minnesota)

    Field of Science: Materials Research

23. KFS initial users

    Jeffrey Vetter (Oak Ridge National Laboratory)

    Field of Science: Computer and Computation Research

24. Molecular Dynamics Simulation of Plasma Facing Surfaces in ITER Fusion Device

    Ahmed Hassanein (Purdue University)

    Field of Science: Physics

25. SHOC BFS Collaboration

    Jeffrey Young (Georgia Institute of Technology)

    Field of Science: Computer and Computation Research

26. NOAA

    Christopher Kerr (Geophysical Fluid Dynamics Laboratory)

    Field of Science: Ocean Sciences

27. Molecular Dynamics Simulation for Characterization of Shell Crosslinked Micelle

    ByeongJae Chun (Georgia Institution of Technology)

    Field of Science: Materials Research

28. Numerical Investigation of Circularly Polarized Light Transmission by a Chiral Array of Silver Nanospheres

    Shengli Zou (University of Central Florida)

    Field of Science: Chemistry

29. Campus Champion for University of Chicago

    Nicholas Labello (University of Chicago)

    Field of Science: Training

30. UTSI CFD Applications course

    Gregory Power (University of Tennessee Space Institute)

    Field of Science: Engineering Centers

31. To design an ODE integrator algorithm for Molecular Dynamics applications

    Pradeep Sivakumar (Northwestern University)

    Field of Science: Molecular Biosciences

32. Improving the support for accelerators in performance evaluation tools

    Sameer Shende (University of Oregon)

    Field of Science: Computer and Computation Research

33. Campus Champion for Harvey Mudd College

    Jeho Park (Harvey Mudd College)

    Field of Science: Training

34. Black Holes as Moving Punctures

    John Brown (North Carolina State University at Raleigh)

    Field of Science: Physics

35. Multiscale simulation of biominerals

    Youping Chen (University of Florida)

    Field of Science: Materials Research

36. Investigate climate change impacts over California using WRF dynamical downscaling simulations

    Zhan Zhao (California Air Resources Board)

    Field of Science: Atmospheric Sciences

37. Campus Champion for Columbia University

    Rob Lane (Columbia University in the City of New York)

    Field of Science: Training

38. NAMD Tuning and Support

    James Phillips (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

39. Biomolecular Simulations: Proteins and Bilayers

    Jeffry D. Madura (Duquesne University)

    Field of Science: Chemistry

40. Campus Champions Program for the University of Virginia

    Katherine Holcomb (University of Virginia)

    Field of Science: Cross-Disciplinary Activities

41. PetaApps: New Coupling Strategies and Capabilities for Petascale Climate Modeling

    Richard Loft (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

42. Defect studies in CZTSSe

    Mike Scarpulla (University of Utah)

    Field of Science: Materials Research

43. Impact of Extreme Climatic Events on Water Quality and Sustainability of Truckee Carson (CA-NV) Watershed

    Goloka Sahoo (University of California-Davis)

    Field of Science: Atmospheric Sciences

44. Large-eddy simulation of shock/boundary layer interaction and shockbifurcation

    Matthias Ihme (Stanford University)

    Field of Science: Chemical, Thermal Systems

45. Computational simulations of DNA repair enzymes

    Gerardo Cisneros (Wayne State University)

    Field of Science: Chemistry

46. Multi-scale modeling of the electrochemical reduction of CO2 to alcohols

    Aravind Asthagiri (Ohio State University)

    Field of Science: Chemistry

47. Replacing Data Replication with Data Movement in Logistical Newtorks

    Micah Beck (University of Tennessee, Knoxville)

    Field of Science: Computer and Computation Research

48. A Performance and Energy Aware reDesign of Climate Model on Emerging ManyCore Architecture

    Hailong Yang (Sino-German Joint Software Institute)

    Field of Science: Atmospheric Sciences

49. Computational studies of antimicrobial peptides and their interactions with bacterial membranes

    Yongle Li (University of New Mexico)

    Field of Science: Chemistry

50. Benchmarking a new parallel finite element code for modeling crustal deformation due to earthquakes and volcanoes

    Syed Ali (University of Wisconsin-Madison)

    Field of Science: Earth Sciences

51. Scaling of the Bone Morphogenetic Protein Gradient in the Drosophila Wing Imaginal Disc

    Abed Alnaif (University of California-Irvine)

    Field of Science: Integrative Biology and Neuroscience

52. Numerical Experiments of Physics and Dynamics of Multiscale Turbulent Clouds

    Lian-Ping Wang (University of Delaware)

    Field of Science: Atmospheric Sciences

53. Determination of solution structures by NMR and dependence on pH and salt of biomolecular interactions

    David Case (Rutgers, the State University of New Jersey)

    Field of Science: Molecular Biosciences

54. FINDING NOVEL BREAST CANCER CHEMOTHERAPY DRUG COMBINATIONS THROUGH GLOBAL SENSITIVITY ANALYSIS

    Marc Birtwistle (Mount Sinai School of Medicine)

    Field of Science: Molecular Biosciences

55. Accelerated software development for large scale nuclear structure calculations

    Bhupender Thakur (Louisiana State Univrsity)

    Field of Science: Physics

56. SCE using Beacon

    Ming Zhao (SimCenter Enterprises)

    Field of Science: Computer and Computation Research

57. Campus Champions program for Marquette University

    Xizhou Feng (Clemson University)

    Field of Science: Advanced Scientific Computing

58. Scalable Performance Tools for Blue Waters.

    Robert J. Fowler (University of North Carolina, Chapel Hill)

    Field of Science: Advanced Scientific Computing

59. Performance Evaluation of NSF SDCI Applications using POINT

    Sameer Shende (University of Oregon)

    Field of Science: Advanced Scientific Computing

60. DNS of particle-laden turbulent flows

    Antonino Ferrante (University of Washington)

    Field of Science: Chemical, Thermal Systems

61. Benchmarking OpenFOAM for sediment transport simulations

    Thomas Hauser (University of Colorado, Boulder)

    Field of Science: Advanced Scientific Computing

62. Particles in bidisperse and wall-bounded shear flow suspensions

    Martin Maxey (Brown University)

    Field of Science: Chemical, Thermal Systems

63. Campus Champion for the University of Virginia

    Thomas Hall (University of Virginia)

    Field of Science: Advanced Scientific Computing

64. Numerical investigation of the noise radiated by supersonic jets

    Simon Mendez (Stanford University)

    Field of Science: Chemical, Thermal Systems

65. Circumstellar Astrophysics: Disks, Winds, Shells, and Shocks

    John M. Blondin (North Carolina State University at Raleigh)

    Field of Science: Astronomical Sciences

66. Porting and scalability evaluation of the Scalasca toolset

    Mahin Mahmoodi (Pittsburgh Supercomputing Center)

    Field of Science: Advanced Scientific Computing

67. A case study of using TeraGrid for large-scale medical image analysis

    Andriy Fedorov (Brigham and Womens Hospital)

    Field of Science: Advanced Scientific Computing

68. Parallel Algorithms for Particulate Flows

    George Biros (University of Texas at Austin)

    Field of Science: Advanced Scientific Computing

69. OSG->TG Gateway

    Neha Sharma (Fermi National Accelerator Laboratory)

    Field of Science: Advanced Scientific Computing

70. Full-3D Seismic Waveform Tomography for Crustal and Upper-Mantle Earth Structures in California, US and the Eastern Eurasia

    Po Chen (University of Wyoming)

    Field of Science: Earth Sciences

71. SPECIES DISTRIBUTION MODELING FOR TARDIGRADES OF THE GREAT SMOKY MOUNTAINS NATIONAL PARK

    Paul Bartels (Warren Wilson College)

    Field of Science: Environmental Biology

72. Multiscale modeling of membrane penetration by nanoscale drug carriers

    Reid Van Lehn (California Institute of Technology)

    Field of Science: Materials Research

73. Covariant density functional studies for nuclear structure and nuclear astrophysics

    Anatoli Afanasjev (University of Tennessee, Knoxville)

    Field of Science: Physics

74. Exploring Scalable Parallelism and Optimization of Spatiotemporal Computation over Beacon

    Haihang You (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

75. Molecular Dynamics Simulation of Thermal Transport in Thermal Interface Materials

    Tengfei Luo (University of Notre Dame)

    Field of Science: Chemical, Thermal Systems

76. First Principles Computational Design of Silicon Clathrate Anodes for Li-Ion Batteries

    Kwai Chan (Southwest Research Institute)

    Field of Science: Materials Research

77. Campus Champion for Idaho State University

    Ben Nickell (Idaho National Laboratory)

    Field of Science: Training

78. Space-time Loadings on Wind Turbine Blades driven by Atmospheric Boundary Layer Turbulence: Coupling LES and DES

    Michael Kinzel (Pennsylvania State University)

    Field of Science: Atmospheric Sciences

79. PAPI on MIC

    James Ralph (University of Tennessee, Knoxville)

    Field of Science: Computer and Computation Research

80. NUCCOR

    Gaute Hagen (Oak Ridge National Laboratory)

    Field of Science: Physics

81. Space Telescope Science Institute STScI

    Francesca Romana Boffi (Space Telescope Science Institute)

    Field of Science: Astronomical Sciences

82. Fault Injection for GPU studies

    Si Li (Georgia Institute of Technology)

    Field of Science: Computer and Computation Research

83. Molecular Modeling of Nanoscale Structure and Dynamics of Geologically and Environmentally Important Aqueous Solutions and Substrate-Solution Interfaces

    Christin Morrow (Michigan State University)

    Field of Science: Earth Sciences

84. Streamline dental image processing to increase productivity

    Huian Li (Indiana University)

    Field of Science: Advanced Scientific Computing

85. Localizing Bugs that Manifest at Large System Scales

    Saurabh Bagchi (Purdue University)

    Field of Science: Computer and Computation Research

86. Evaluation of Xeon Phi for Parallel LES

    Suresh Menon (Georgia Institute of Technology)

    Field of Science: Chemical, Thermal Systems

87. Simulations of Biomolecular Systems and Proton Solvation and Transports

    Gregory Voth (University of Chicago)

    Field of Science: Chemistry

88. Science Gateway for Systems Biology Workbench Portal

    Bhanu Rekepalli (other)

    Field of Science: Molecular Biosciences

89. Numerical Simulations of Core-Collapse Supernova

    Konstantin Yakunin (University of Tennessee, Knoxville)

    Field of Science: Astronomical Sciences

90. Large-scale evolutionary simulations of complex microbial behaviors in dynamic environments. Scalability tests in preparation for the Research Project Application.

    Ilias Tagkopoulos (University of California, Davis)

    Field of Science: Advanced Scientific Computing

91. TeraGrid Campus Champion allocation for University of Washington

    Jeffrey Gardner (University of Washington)

    Field of Science: Training

92. Campus Champion for Marshall University

    Jack Smith (Marshall University)

    Field of Science: Advanced Scientific Computing

93. Theoretical study of the few body problem

    Don Madison (Missouri University of Science and Technology)

    Field of Science: Physics

94. Science Gateway for Arroyo AO code

    Roy Williams (California Institute of Technology)

    Field of Science: Astronomical Sciences

95. The Beacon Codesign Project

    Gregory Peterson (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

96. Simulation of binding between tRNA and peptides to discover inhibitors of HIV replication

    Carol Hall (North Carolina State University at Raleigh)

    Field of Science: Chemistry

97. Numerical Simulation of Hydrodynamic Instabilities with Application to High Energy Density Physics

    Eric Johnsen (University of Michigan)

    Field of Science: Chemical, Thermal Systems

98. Folding studies on the TDP-43 Protein

    John Beale (Saint Louis College of Pharmacy)

    Field of Science: Molecular Biosciences

99. Merging Double White Dwarf Binary Stars as progenitor for R Corona Borealis Stars

    Jan Staff (Louisiana State University)

    Field of Science: Astronomical Sciences

100. GPUDG

     Timothy Warburton (Rice University)

     Field of Science: Advanced Scientific Computing

101. SpaceTime Neutron Kinetics within a MultiPhysics Framework for Nuclear Fuel Performance Applications

     James Banfield (University of Tennessee, Knoxville)

     Field of Science: Physics

102. Testing Modularities with High Performance Computing Resources

     Dwayne John (National Institute for Computational Sciences)

     Field of Science: Mathematical Sciences

103. UTAACEMEZZ

     Anthony Mezzacappa (University of Tennessee, Knoxville)

     Field of Science: Chemistry

104. Quantum Monte Carlo studies of lowtemperature solids

     Robert Hinde (University of Tennessee, Knoxville)

     Field of Science: Chemistry

105. Automatic Classification of Computing Educational Resources into the ACM Computing Classification System.

     Paul Bogen (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

106. Architectural Comparisons for Community Codes

     Jeff Pummill (University of Arkansas)

     Field of Science: Advanced Scientific Computing

107. Typologies of Immigrant Absorbing Destinations

     Stephanie Bohon (Center for the Study of Social Justice)

     Field of Science: Social and Economic Science

108. Exploring energy efficiency memory contention and applicationtoolshardware codesign on a Xeon Phi cluster

     Abhinav Bhatele (Lawrence Livermore National Laboratory)

     Field of Science: Advanced Scientific Computing

109. Towards petascale simulations of cloud turbulence.

     Andrzej Wyszogrodzki (University Corporation for Atmospheric Research)

     Field of Science: Atmospheric Sciences

110. High-Resolution Fully Kinetic Particle-in-Cell Modeling of Plasma Thrusters

     Manuel Martinez-Sanchez (Massachusetts Institute of Technology)

     Field of Science: Advanced Scientific Computing

111. Evaluation of Groundwater Flow Paths, Fluxes, and Stores in the Chesapeake Bay Watershed Using Distributed Flow and Transport Models

     Claire Welty (University of Maryland, Baltimore County)

     Field of Science: Earth Sciences

112. Simulations of Supramolecular Biological Systems

     Klaus Schulten (University of Illinois at Urbana-Champaign)

     Field of Science: Molecular Biosciences

113. 3D Simulations of Common Envelope Phases

     Jason Nordhaus (Rochester Institute of Technology)

     Field of Science: Astronomical Sciences

114. Radiation Transport Calculations for Facility for Rare Isotope Beams

     Mikhail Kostin (Michigan State University)

     Field of Science: Physics

115. Structure of Magnetized Accretion Disks

     Kristian Beckwith (Tech-X Corporation)

     Field of Science: Astronomical Sciences

116. Multiscale Models for Biological Engineering

     Yiannis N. Kaznessis (University of Minnesota)

     Field of Science: Molecular Biosciences

117. Enhanced Molecular Dynamics Simulations to Study the Kinetics of G ProteinCoupled Receptor Oligomerization

     Marta Filizola (Icahn School of Medicine at Mount Sinai)

     Field of Science: Biological and Critical Systems

118. ABC for comparative methods

     Brian OMeara (University of Tennessee, Knoxville)

     Field of Science: Integrative Biology and Neuroscience

119. Data Clustering on GPUs cluster

     Hui Li (Indiana University)

     Field of Science: Computer and Computation Research

120. TSP on Xeon Phi

     Kamil Rocki (The University of Tokyo)

     Field of Science: Mathematical Sciences

121. Understanding the Nature of the Missing Baryons and the Warm/Hot Intergalactic Medium

     Britton Smith (University of Edinburgh)

     Field of Science: Astronomical Sciences

122. Campus Champion for Montana State University

     Pol Llovet (Montana State University)

     Field of Science: Training

123. Rare earths and critical materials Understanding chemical reactivity of lanthanides and actinides

     Deborah Penchoff (University of Tennessee, Knoxville)

     Field of Science: Chemistry

124. Gene calling in metagenomic reads

     Achraf El Allali (University of South Carolina)

     Field of Science: Computer and Computation Research

125. ACS Fellowship Reshaping biological membranes

     Mijo Simunovic (University of Chicago)

     Field of Science: Chemistry

126. The Oxidation of Silicon Carbide and Structure-Defects-Mobility Relations

     Xiao Shen (University of Memphis)

     Field of Science: Materials Research

127. Evaluation of the Loci Parallel Programming Framework on the Beacon Cluster

     Edward Luke (Mississippi State University)

     Field of Science: Mathematical Sciences

128. First-principles molecular dynamics investigation of catalytic transformation of sugars

     Jingguang Chen (University of Delaware)

     Field of Science: Chemistry

129. Novel Monolignols: Structure and reactivity in lignin synthesis

     Amandeep Sangha (Oak Ridge National Laboratory)

     Field of Science: Molecular Biosciences

130. Quantum Annealing Algorithms and Simulation

     Tameem Albash (University of Southern California)

     Field of Science: Physics

131. The electronic structure and charge carrier driven chemistry on solid surfaces

     Jin Zhao (University of Pittsburgh)

     Field of Science: Chemistry

132. GridFTP log file analysis

     Robert Patton (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

133. Campus Champion for West Virginia University

     Don McLaughlin (West Virginia University)

     Field of Science: Computer and Computation Research

134. Molecular dynamic simulations of paclitaxel-microtubule complexes

     Susan Bane (SUNY at Binghamton)

     Field of Science: Molecular Biosciences

135. Hydrogel

     Seung Soon Jang (Georgia Institute of Technology)

     Field of Science: Molecular Biosciences

136. Startup allocation for Campus Champion

     Tajendra Vir Singh (University of California-Los Angeles)

     Field of Science: Training

137. The Madden Julian Oscillation in Super-Parameterized Climate Simulations

     Michael Pritchard (University of California, Irvine)

     Field of Science: Atmospheric Sciences

138. The phase structure of 12 fermion SU(3) systems

     Anna Hasenfratz (University of Colorado)

     Field of Science: Physics

139. The Illustris Project - Cosmological hydrodynamics on a moving mesh

     Lars Hernquist (Harvard University)

     Field of Science: Astronomical Sciences

140. Simulation of Electronic Non-Adiabatic Dynamics

     Theresa Windus (Iowa State University)

     Field of Science: Chemistry

141. Research, implementation and testing of an ultra-scalable 3D FFT library

     Dmitry Pekurovsky (University of California-San Diego)

     Field of Science: Advanced Scientific Computing

142. High energy grazing collisions of black holes

     Ulrich Sperhake (California Institute of Technology)

     Field of Science: Physics

143. Star Formation in Turbulent Magnetohydrodynamical Clouds using Adaptive Mesh Refinement

     David Collins (Florida State University)

     Field of Science: Astronomical Sciences

144. Scalable three-dimensional adaptive and non-adaptive spectral methods for the study of nonlinear phenomena in the geosciences

     Duane Rosenberg (Oak Ridge National Laboratory)

     Field of Science: Advanced Scientific Computing

145. Cactus and Einstein Toolkit developer community support

     Frank Loeffler (Louisiana State University)

     Field of Science: Advanced Scientific Computing

146. Computational Studies of Protein/Peptide Interactions In Biological Membranes

     Wonpil Im (University of Kansas)

     Field of Science: Molecular Biosciences

147. Problem Decomposition Research

     Richard Otero (Georgia Institute of Technology)

     Field of Science: Design and Manufacturing Systems

148. Computer simulations of protein-protein interactions

     Sameer Varma (University of South Florida)

     Field of Science: Molecular Biosciences

149. Atomistic simulations on nuclear receptor RXR complex and on the organic solvent-dependent motions of an extremophilic lipase

     Tongye Shen (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

150. Kinetic simulation of turbulent reconnections

     Pin Wu (University of Delaware)

     Field of Science: Earth Sciences

151. Surfaces and interfaces at the nanoscale

     Henry Pinto (Jackson State University)

     Field of Science: Physics

152. Atomic-detail investigation of the Sodium-Iodide Symporter (NIS) binding sites and PI3K activation mechanism.

     Mario Amzel (Johns Hopkins University)

     Field of Science: Molecular Biosciences

153. Ultrasound Wave Propagation and Scattering in Three Dimensions

     Robert Waag (University of Rochester)

     Field of Science: Mathematical Sciences

154. Multibody fluid-structure interactions in turbulent flows

     Elias Balaras (George Washington University)

     Field of Science: Chemical, Thermal Systems

155. Spin Density Optimized Density Functionals

     Gary Washington (United States Military Academy)

     Field of Science: Chemistry

156. Protein and Metal Ion Coordination Important in Neurodegenerative Diseases

     Orkid Coskuner (University of Texas at San Antonio)

     Field of Science: Chemistry

157. Radiative MHD Simulations of Turbulent Solar Dynamics

     Alexander Kosovichev (New Jersey Institute of Technology)

     Field of Science: Atmospheric Sciences

158. Beta-decay rates of r-process nuclei using the Quasiparticle Random Phase Approximation

     Matt Braby (University of North Carolina, Chapel Hill)

     Field of Science: Physics

159. Multiscale Atomistic Simulations of Metal-Oxygen Surface Interactions

     Alan McGaughey (Carnegie Mellon University)

     Field of Science: Materials Research

160. Bodega Bay Applied Phylogenetics Workshop

     Brian Moore (University of California, Davis)

     Field of Science: Environmental Biology

161. Computational modeling of molecular systems for solar energy utilization

     Cynthia Lo (Washington University in St. Louis)

     Field of Science: Chemical, Thermal Systems

162. Detecting Fleeting Reaction Intermediates

     Richard Zare (Stanford University)

     Field of Science: Chemistry

163. Computational Modeling of Structures and Catalytic Reactions of d0 Metal Compounds Involving Si-H, Si-N and C-N Bonds

     Aaron Sadow (Iowa State University)

     Field of Science: Chemistry

164. Magneto-hydrodynamics in Clusters of Galaxies

     Thomas Jones (University of Minnesota)

     Field of Science: Astronomical Sciences

165. Chemical Enrichment of the Young Solar System

     Fabian Heitsch (University of North Carolina, Chapel Hill)

     Field of Science: Astronomical Sciences

166. Generation of the 100M-atom chromatophore input dataset for the NAMD Blue Waters petascale benchmark

     Robert A Fiedler (Cray, Inc.)

     Field of Science: Advanced Scientific Computing

167. Virtual Identification of Mechanism Based Oncogene Inhibitors Using Computational Docking

     Yuri Peterson (Medical University of South Carolina)

     Field of Science: Molecular Biosciences

168. Determination of the conformation of polypeptides in solution as well as on a surface using molecular dynamics simulation

     Ganesan Narsimhan (Purdue University)

     Field of Science: Molecular Biosciences

169. Predicting binding specificities of influenza virus hamagglutinin to human and avian receptors

     Dong Xu (Idaho State University)

     Field of Science: Molecular Biosciences

170. FROM STAR FORMATION TO SUPERNOVAE : ASTROCHEMISTRY OF TURBULENT GMC MODELS AND STUDIES OF TYPE Ia SUPERNOVAE

     Robert Fisher (University of Massachusetts, Dartmouth)

     Field of Science: Astronomical Sciences

171. A large-scale Weather Research and Forecasting-Chemistry (WRF-Chem) model simulation used to support GOES-R Advanced Baseline Imager research activities

     Jason Otkin (University of Wisconsin-Madison)

     Field of Science: Atmospheric Sciences

172. Computational Study of Earth and Planetary Materials

     Ronald E. Cohen (Carnegie Institution of Washington)

     Field of Science: Earth Sciences

173. Preparing to Swim in Blue Waters: Cosmic Re-Ionization at Full Scale on NICS Kraken

     Robert Harkness (University of California-San Diego)

     Field of Science: Astronomical Sciences

174. Studying the Detailed Physics of the Intracluster Medium in Clusters of Galaxies with the FLASH Code

     John ZuHone (NASA Goddard Space Flight Center)

     Field of Science: Astronomical Sciences

175. Formation of Interstellar Molecular Clouds: Parker Instability with Phase Transitions

     Telemachos Mouschovias (University of Illinois at Urbana-Champaign)

     Field of Science: Astronomical Sciences

176. Constrained Galaxy Formation & Evolution

     Emilio Romano-Diaz (University of Kentucky)

     Field of Science: Astronomical Sciences

177. Molecular Dynamics Simulations of Dense Matter

     Charles J. Horowitz (Indiana University)

     Field of Science: Astronomical Sciences

178. Lattice-Boltzmann Studies of Turbulence, Blood flow and Liquid Crystals, and Molecular Dynamics Studies for Nanoscience and Immunology

     Bruce Boghosian (Tufts University)

     Field of Science: Advanced Scientific Computing

179. Large Suite of Dark Matter Simulations (LasDamas)

     Andreas Berlind (Vanderbilt University)

     Field of Science: Astronomical Sciences

180. Direct numerical simulations of granular materials

     Dayakar Penumadu (University of Tennessee, Knoxville)

     Field of Science: Materials Research

181. Performance Analysis of Quantum-Mechanical Computational Chemistry Codes

     Victor Anisimov (University of Illinois at Urbana-Champaign)

     Field of Science: Chemistry

182. Accelerated MD on GPUs

     Levi Pierce (Univeristy of California San Diego)

     Field of Science: Molecular Biosciences

183. Ligand binding mechanism in the visual photoreceptor opsin

     Thomas Huber (Rockefeller University)

     Field of Science: Astronomical Sciences

184. Energy efficiency of distributed programming models

     Siddhartha Jana (University of Houston)

     Field of Science: Computer and Computation Research

185. High Performance Data Analytics and Machine Learning Framework

     Dong Ryeol Lee (Georgia Institute of Technology)

     Field of Science: Computer and Computation Research

186. ORNL Environmental Science GPGPU Working Group

     Pete Eby (Oak Ridge National Laboratory)

     Field of Science: Atmospheric Sciences

187. Testing General Relativity using Accreting Black Holes

     Jonathan McKinney (University of Maryland, College Park)

     Field of Science: Physics

188. Coarse-Grained Molecular Dynamics Simulations of Virus Assembly

     Stephen Harvey (University of Pennsylvania)

     Field of Science: Molecular Biosciences

189. Designing Cement from Atomistic Simulations

     Hegoi Manzano (Massachusetts Institute of Technology)

     Field of Science: Materials Research

190. Exploring the Chemical Landscape for Base Excision DNA Repair

     Ivaylo Ivanov (Georgia State University)

     Field of Science: Chemistry

191. Turbulent flow and large surface wave events in the marine boundary layers

     Peter Sullivan (National Center for Atmospheric Research)

     Field of Science: Atmospheric Sciences

192. The formation of the first stars in extreme environments

     Priyamvada Natarajan (Yale University)

     Field of Science: Astronomical Sciences

193. Particle-In-Cell Simulations of Collisionless Magnetic Reconnection

     Michael Swisdak (University of Maryland, College Park)

     Field of Science: Atmospheric Sciences

194. Influence of the near-storm environment and microphysics on supercell tornado longevity and intensity

     Matthew Gilmore (University of North Dakota)

     Field of Science: Atmospheric Sciences

195. The Fate of Double White Dwarf Binary Stars

     Patrick Motl (Indiana University Kokomo)

     Field of Science: Astronomical Sciences

196. Climate System Noise in Climate Variability

     Cecilia Bitz (University of Washington)

     Field of Science: Atmospheric Sciences

197. Space Radiation Estimation and Prediction on TeraGrid

     Liwen Shih (University of Houston-Clear Lake)

     Field of Science: Computer and Computation Research

198. Kinetic Simulations of Collisional Ionospheric Waves and Turbulence

     Meers Oppenheim (Boston University)

     Field of Science: Atmospheric Sciences

199. Simulations of the 18 March 1925 Tri-State Tornado Outbreak

     Matthew Gilmore (University of North Dakota)

     Field of Science: Atmospheric Sciences

200. Preparing for Petascale Tornadic Thunderstorm Simulations On Blue Waters

     Leigh G. Orf (University of Wisconsin-Madison)

     Field of Science: Atmospheric Sciences

201. Simulations of AGN Jets in Galaxy Clusters

     Brian Morsony (University of Wisconsin-Madison)

     Field of Science: Astronomical Sciences

202. CAPS Spring Runs - 2010

     Ming Xue (University of Oklahoma)

     Field of Science: Atmospheric Sciences

203. Calculations of single-scattering properties of small ice crystals in cirrus for climate implication

     Jun Shik Um (University of Illinois at Urbana-Champaign)

     Field of Science: Atmospheric Sciences

204. Resolving ocean mesoscale eddies in climate change simulations

     Frank Bryan (National Center for Atmospheric Research)

     Field of Science: Atmospheric Sciences

205. Global tropospheric chemical transport of passive tracers using the multiscale model framework

     William Collins (Lawrence Berkeley National Laboratory)

     Field of Science: Atmospheric Sciences

206. Kinetic Simulations of Ionospheric Waves and Turbulence

     Meers Oppenheim (Boston University)

     Field of Science: Atmospheric Sciences

207. Linked Environments for Atmospheric Discovery

     Suresh Marru (Indiana University)

     Field of Science: Atmospheric Sciences

208. Chemical Transport in the Multiscale Modeling Framework (MMF): Implications for Convective Mixing and Aerosol Transport

     William Collins (Lawrence Berkeley National Laboratory)

     Field of Science: Atmospheric Sciences

209. Campus Champions program for the University of Kentucky

     Qiyou Jiang (Rice University)

     Field of Science: Computer and Computation Research

210. Mathematical Modeling of Heart Rhythm Disorders

     Xiaopeng Zhao (University of Tennessee, Knoxville)

     Field of Science: Biological and Critical Systems

211. CSE 260/160 - Course in Parallel Computation

     Scott B. Baden (University of California-San Diego)

     Field of Science: Computer and Computation Research

212. Creating High Resolution Tornado Simulations for Spatiotemporal Data Mining

     Amy McGovern (University of Oklahoma)

     Field of Science: Atmospheric Sciences

213. HPC for the NEES network

     Lelli Van Den Einde (San Diego Supercomputer Center)

     Field of Science: Mechanical and Structural Systems

214. Simulating The Inner Magnetospheric Environment

     Mostafa El-Alaoui (University of California-Los Angeles)

     Field of Science: Atmospheric Sciences

215. Campus Champion - Rutgers - Camden Campus, New startup to review, teach and learn XSEDE

     Kevin Abbey (Rutgers, the State University of New Jersey)

     Field of Science: Training

216. Quantum Monte Carlo studies of the interplay between lattice charge and orbital degrees of freedom in complex quantum materials

     Steven Johnston (University of Tennessee, Knoxville)

     Field of Science: Physics

217. Microstructure of suspensions and granular flows

     James Gilchrist (Lehigh University)

     Field of Science: Chemical, Thermal Systems

218. High Performance Computing Resources in Support of Spatiotemporal Relational Data Mining for Tornado Anticipation

     Amy McGovern (University of Oklahoma)

     Field of Science: Atmospheric Sciences

219. The Topological and Functional Landscape of Probablistic Boolean Circuits

     Simon DeDeo (Santa Fe Institute)

     Field of Science: Integrative Biology and Neuroscience

220. Molecular Simulation of Single-Walled Carbon Nanotube Sensor Devices

     Richard Braatz (Massachusetts Institute of Technology)

     Field of Science: Materials Research

221. Parallel Adaptive Wavelet Collocation Method for the Simulation of Compressible Reactive Flows

     Samuel Paolucci (University of Notre Dame)

     Field of Science: Advanced Scientific Computing

222. VampirTraceGPU

     Guido Juckeland (Technische Universitaet Dresden)

     Field of Science: Advanced Scientific Computing

223. MOLECULAR DYNAMIC SIMULATION STUDIES OF POLY-DOTS: NEW LIGHT EMMITING NANOPARTICLES

     Dvora Perahia (Clemson University)

     Field of Science: Chemistry

224. Theoretical Investigation of Possible Mechanisms of Fluorescence Intermittency

     Rudolph Marcus (California Institute of Technology)

     Field of Science: Chemistry

225. GPU-based Lossless High-speed Data Compression

     Martin Burtscher (Texas State University)

     Field of Science: Computer and Computation Research

226. Teragrid Resource Allocations to Extend WRF Into New Computational Frontiers

     Donald Morton (University of Alaska, Fairbanks)

     Field of Science: Computer and Computation Research

227. Performance Analysis and Tuning for PTCLM Climate Modeling

     Haihang You (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

228. Surface Adsorption on Terraces and Nanotubes

     Alain Phares (Villanova University)

     Field of Science: Chemistry

229. Parallelization of a Finite Element Code for Petascale Dynamics Modeling

     Yifeng Cui (University of California, San Diego)

     Field of Science: Computer and Computation Research

230. Campus Champion for University of Oklahoma

     Henry Neeman (University of Oklahoma)

     Field of Science: Cross-Disciplinary Activities

231. Campus Champion for Lamar University

     Lawrence Osborne (Lamar University)

     Field of Science: Computer and Computation Research

232. computational studies on protein-ligand interactions

     Xiaoqin Huang (University of Kentucky)

     Field of Science: Chemistry

233. Large-scale Parallel Discrete Event Simulation of Communication Networks for CyberSecurity

     David Bauer (MITRE)

     Field of Science: Computer and Computation Research

234. Benchmarking Weather Research and Forecasting (WRF) Model

     Donald Morton (University of Alaska, Fairbanks)

     Field of Science: Computer and Computation Research

235. First Principles Based Modeling of Proton Diffusion in Decorated Carbon Nanotubes as Structurally Defined Systems for Proton Exchange Membranes

     Stephen Paddison (University of Tennessee, Knoxville)

     Field of Science: Chemistry

236. Prediction of Heisenberg exchange coupling constant using DFT+U

     Artem Masunov (University of Central Florida)

     Field of Science: Chemistry

237. Computational Studies of Complex Biological Systems

     Preston Benoni Moore (University of the Sciences in Philadelphia)

     Field of Science: Computer and Computation Research

238. Free energy calculations guided design of inhibitors of protein-protein interactions

     Julien Michel (Yale University)

     Field of Science: Chemistry

239. Protein Nanocomposites for Bio-Fuel Cells and Bio-Sensors

     Venkatesan Renugopalakrishnan (Northeastern University)

     Field of Science: Chemistry

240. Integrated antimicrobial drug discovery scheme for multi-drug resistant bacteria

     Guillermina Estiu (University of Notre Dame)

     Field of Science: Chemistry

241. GridAMP: Asteroseismic Modeling Portal

     Matthew Woitaszek (National Center for Atmospheric Research)

     Field of Science: Cross-Disciplinary Activities

242. Pre-reactive complexes of hydroxyl radical

     Rudolf Burcl (Marshall University)

     Field of Science: Chemistry

243. Loosely-coupled programming for highly-parallel applications

     Michael Wilde (University of Chicago)

     Field of Science: Computer and Computation Research

244. Campus Champions Program - Yale University

     Brian Dobbins (Yale University)

     Field of Science: Computer and Computation Research

245. Global Kinetic Simulations of the Magnetosphere

     Homayoun Karimabadi (University of California-San Diego)

     Field of Science: Atmospheric Sciences

246. Novel Ferritin Nanoparticles: Classical Molecular Dynamics Simulations of Ion Transport into the Ferritin Core

     Deborah Evans (University of New Mexico)

     Field of Science: Chemistry

247. Phase separation by molecular Dyanmics on GPUs

     Bernard Pettitt (University of Texas Medical Branch)

     Field of Science: Chemistry

248. LargeScale Data Analysis and Visualization Contest

     Sean Ahern (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

249. Study of Complex Materials with GW approximation

     Adolfo Eguiluz (University of Tennessee, Knoxville)

     Field of Science: Materials Research

250. QMMM Free Energy Surfaces of RNA Catalysis

     Brian Radak (University of Chicago)

     Field of Science: Chemistry

251. Development and Evaluation of a New Initialization Technique for Weather Forecasting Ensembles

     Isidora Jankov (Cooperative Institute for Research in the Atmosphere)

     Field of Science: Atmospheric Sciences

252. Direct Numerical Simulation of Transitional and Turbulent Flows with Active Control

     Sedat Biringen (University of Colorado)

     Field of Science: Chemical, Thermal Systems

253. Assessment and Application of a New Atomistic Monte Carlo Model

     Roger Stoller (University of Tennessee, Knoxville)

     Field of Science: Mathematical Sciences

254. UT Campus Access

     Lonnie Crosby (University of Tennessee, Knoxville)

     Field of Science: Cross-Disciplinary Activities

255. CondorUSGS

     Kent Wenger (Condor Team)

     Field of Science: Earth Sciences

256. Stony Brook Summer Program in Computational Biophysics

     Carlos Simmerling (SUNY at Stony Brook)

     Field of Science: Molecular Biosciences

257. Inhomogeneous Alfven Turbulence in the Solar Wind

     Jean Perez (Florida Institute of Technology)

     Field of Science: Atmospheric Sciences

258. Molecular dynamics studies of nanofluidic systems

     Petr Kral (University of Illinois at Chicago)

     Field of Science: Chemistry

259. Scalable Hierarchical Algorithms with Applications in Fluids and Biology

     Lorena Barba (Boston University)

     Field of Science: Advanced Scientific Computing

260. Computational studies of complex processes in biological macromolecular sys.

     Benoit Roux (University of Chicago)

     Field of Science: Chemistry

261. Instantaneous Normal Mode Analysis of a Room-Temperature Ionic Liquid

     Mark Kobrak (CUNY Brooklyn College)

     Field of Science: Chemistry

262. Mesoscopic and coarse-grained modeling of reticulated intracellular membranes

     Edward Lyman (University of Delaware)

     Field of Science: Chemistry

263. eaviv - Distributed visualization

     Andrei Hutanu (Louisiana State University)

     Field of Science: Computer and Computation Research

264. Non-adiabatic Electron Molecular Dynamics for Describing Material Properties and Phenomena in Extreme Conditions

     Andres Jaramillo-Botero (California Institute of Technology)

     Field of Science: Chemistry

265. Numerical Simulations of Dust Destruction in Supernova Remnants

     Devin Silvia (Michigan State University)

     Field of Science: Astronomical Sciences

266. COMPUTATIONAL STUDY OF SOOT FORMATION PROCESS IN COMBUSTION ENVIRONMENTS

     Hairong Tao (University of Michigan)

     Field of Science: Chemistry

267. Applications of Bis-peptide nanostructures

     Christian Schafmeister (Temple University)

     Field of Science: Chemistry

268. Fully resolved simulation of self-propelling fish

     Neleesh Patankar (Northwestern University)

     Field of Science: Chemical, Thermal Systems

269. Interaction of aromatic molecules with metal surfaces

     Sampyo Hong (University of Central Florida)

     Field of Science: Chemistry

270. First Principles Based Modeling of Proton Diffusion in Decorated Carbon Nanotubes as Structurally Defined Systems for Proton Exchange Membranes

     Stephen Paddison (University of Tennessee, Knoxville)

     Field of Science: Chemistry

271. Campus Champion Account

     Vikram Gazula (University of Kentucky)

     Field of Science: Cross-Disciplinary Activities

272. Campus Champions program for University of Arkansas

     David Chaffin (University of Arkansas)

     Field of Science: Advanced Scientific Computing

273. Campus Champion for Mississippi State University

     Trey Breckenridge (Mississippi State University)

     Field of Science: Advanced Scientific Computing

274. Direct numerical simulation of turbulent flow over a surface mounted obstacle

     Nikolaos Malamataris (George Mason University)

     Field of Science: Chemical, Thermal Systems

275. Large Eddy Simulation of Turbulent Combustion via the Filtered Density Function

     Peyman Givi (University of Pittsburgh)

     Field of Science: Chemical, Thermal Systems

276. SunFlo3DI - Scalable Unstructured Flow Solver

     Resat Payli (Indiana University-Purdue University, Indianapolis)

     Field of Science: Chemical, Thermal Systems

277. Development and Testing of Scalable Software on Beacon

     Kwai L. Wong (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

278. Simulations of Black Hole Disk-Jet Connection

     Alexander Tchekhovskoy (University of California, Berkeley)

     Field of Science: Astronomical Sciences

279. Startup Allocation : Star Formation on the TeraGrid Obtaining Direct Evidence for Ambipolar Diffusion in Astrophysical Turbulence

     Dinshaw Balsara (University of Notre Dame)

     Field of Science: Astronomical Sciences

280. Graph Hyperbolicity and Treelike Structure

     Blair Sullivan (Oak Ridge National Laboratory)

     Field of Science: Mathematical Sciences

281. Scaling studies

     Leopold Grinberg (Brown University)

     Field of Science: Mathematical Sciences

282. Hadronic Contributions to the muon g-2

     Christopher Aubin (Fordham University)

     Field of Science: Physics

283. Searching for correlations between structural properties and stability in molecular materials

     Onise Sharia (University of Notre Dame)

     Field of Science: Materials Research

284. GPU accelerated adaptive QMMM MD with AMBER and TeraChem

     Andreas Goetz (University of California-San Diego)

     Field of Science: Chemistry

285. UT-AACE-BEACON

     Robert Glenn Brook (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

286. Thermonuclear Bursts on the Surfaces of Compact Astrophysical Objects

     Alan Calder (SUNY at Stony Brook)

     Field of Science: Astronomical Sciences

287. Finite Element Simulations of Spontaneous Rupture Propagation of Recent Large Earthquakes

     Benchun Duan (Texas A&M University)

     Field of Science: Earth Sciences

288. Effects of Heat Loss on Premixed Flames in Micro-Scale Combustor

     Hong Im (University of Michigan)

     Field of Science: Chemical, Thermal Systems

289. Introduction to Computational Science and Parallel Computing

     Lawrence Osborne (Lamar University)

     Field of Science: Advanced Scientific Computing

290. Massively Parallel PIC simulations of Ionospheric Gradient Driven Plasma Irregularities

     Yann Tambouret (Boston University)

     Field of Science: Atmospheric Sciences

291. Direct numerical simulations of fluidized bed reactors using a Lagrangian-Eulerian approach

     Perrine Pepiot (Cornell University)

     Field of Science: Advanced Scientific Computing

292. Predicting Kinetics Using Quantum Chemistry

     Linda Broadbelt (Northwestern University)

     Field of Science: Chemical, Thermal Systems

293. Computational studies of iso-polyhalomethanes

     Scott Reid (Marquette University)

     Field of Science: Chemistry

294. New Scoring, Assembly and Evaluation Techniques for Protein Structure

     Dong Xu (University of Missouri, Columbia)

     Field of Science: Computer and Computation Research

295. Campus Champion Program

     Arun Datta (National University)

     Field of Science: Computer and Computation Research

296. Nonlinear aeroelastic effects for large deformation structures

     Paul Cizmas (Texas A&M University)

     Field of Science: Advanced Scientific Computing

297. NWChem on TeraGrid: QA, Testing, Tuning, and Benchmarking

     Wibe De Jong (Pacific Northwest National Laboratory)

     Field of Science: Chemistry

298. Computational MHD for Astrophysical Systems

     John Hawley (University of Virginia)

     Field of Science: Astronomical Sciences

299. Development of Scalable Unstructured Flow Solver for Incompressible Fluid Flow Problems (SunFlo3DI) and Data Centric Computing for Scientific Visualization

     Resat Payli (Indiana University-Purdue University, Indianapolis)

     Field of Science: Chemical, Thermal Systems

300. Campus Champions Program for Mississippi State University

     Roger Smith (Mississippi State University)

     Field of Science: Advanced Scientific Computing

301. SHORT-TERM CLIMATE SIMULATIONS USING THE CCSM

     Peter Gent (National Center for Atmospheric Research)

     Field of Science: Atmospheric Sciences

302. DNS of spatially developing turbulent boundary layers

     Antonino Ferrante (University of Washington)

     Field of Science: Chemical, Thermal Systems

303. Large eddy simulation of turbulent wind over realistic seas with frequent wave breaking events

     Tetsu Hara (University of Rhode Island)

     Field of Science: Ocean Sciences

304. Scaling up GraphLab large scale machine learning framework

     Carlos Guestrin (Carnegie Mellon University)

     Field of Science: Information, Robotics, and Intelligent Systems

305. Nanobiotechnology

     Predrag Krstic (University of Tennessee, Knoxville)

     Field of Science: Physics

306. Pseudospectral Methods on GPUS

     Benson Muite (University of Tartu)

     Field of Science: Mathematical Sciences

307. Digital Archeology Class

     Audris Mockus (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

308. Environmental Impacts on White Nose Syndrome in Bats

     Thomas Hallam (University of Tennessee, Knoxville)

     Field of Science: Environmental Biology

309. Code Porting

     Vikram Gazula (University of Kentucky)

     Field of Science: Educational

310. Landau Level mixing

     Rachel Wooten (University of Tennessee, Knoxville)

     Field of Science: Physics

311. Spherically symmetric simulations of corecollapse supernova to evaluate inputs and approximations

     Eric Lentz (University of Tennessee, Knoxville)

     Field of Science: Astronomical Sciences

312. Ab initio modelling of materials for energy and information technologies

     Richard Hennig (University of Florida)

     Field of Science: Materials Research

313. Local Simulations of Instabilities in Relativistic, Magnetized, Astrophysical Jets

     Sean ONeill (University of Colorado)

     Field of Science: Astronomical Sciences

314. Portal Testing Account

     Jason Kastner (University of Illinois at Urbana-Champaign)

     Field of Science: Training

315. Parallel Computation of Stratified Fluid Flows

     Kraig Winters (University of California-San Diego)

     Field of Science: Advanced Scientific Computing

316. Molecular dynamics of biological and nanoscale systems over microseconds

     Michael Klein (Temple University)

     Field of Science: Chemistry

317. Massively parallel Particle-in-cell simulations of Ionospheric Gradient Driven Plasma Irregularities

     Yann Tambouret (Boston University)

     Field of Science: Atmospheric Sciences

318. Campus Champions Program for Marquette University

     Craig Struble (Marquette University)

     Field of Science: Training

319. Hydrodynamic Modeling of Control Surfaces/ Pectoral Fins

     Meliha Kavukcuoglu (Franklin Olin College of Engineering)

     Field of Science: Advanced Scientific Computing

320. Direct Numerical Simulation of Electrohydrodynamic Atomization

     Olivier Desjardins (Cornell University)

     Field of Science: Chemical, Thermal Systems

321. Multi-Scale Simulation of Multiphase Interface Dynamics in
Complex Turbulent Flows

     Marcus Herrmann (Arizona State University)

     Field of Science: Chemical, Thermal Systems

322. Active Flow Control for Wind Turbine Applications

     Andreas Gross (New Mexico State University)

     Field of Science: Chemical, Thermal Systems

323. Interaction of Ethene with Single Wall Carbon Nanotubes

     Daniel Lawson (University of Michigan, Dearborn)

     Field of Science: Chemistry

324. Direct numerical simulation of separated turbulent three dimensional flows.

     Nikolaos Malamataris (George Mason University)

     Field of Science: Chemical, Thermal Systems

325. Highly Parallel Parameter Estimation for Groundwater Flow

     Willem Schreuder (University of Colorado)

     Field of Science: Chemical, Thermal Systems

326. Compiler/Runtime Optimization for Heterogeneous Parallel Computing

     Ponnuswamy Sadayappan (Ohio State University)

     Field of Science: Computer and Computation Research

327. Molecular Dynamics Simulations of Graphene Solutions for the Rational Design of Stable Graphene Dispersions

     Daniel Blankschtein (Massachusetts Institute of Technology)

     Field of Science: Materials Research

328. Application Acceleration Center of Excellence

     Robert Glenn Brook (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

329. Graph Mining using Accelerated Clusters

     Umit V. Catalyurek (The Ohio State University)

     Field of Science: Computer and Computation Research

330. Effects of anelastic attenuation and seismic velocity on the amplitudes of earthquake ground motions in the Wasatch Front, UT

     Morgan Moschetti (US Geological Survey)

     Field of Science: Earth Sciences

331. Star Formation in Galaxies: From Recipes to Real Physics

     Mark Krumholz (University of California-Santa Cruz)

     Field of Science: Astronomical Sciences

332. Toward Sustainability of the High Plains Aquifer Region: Coupled Landscape, Atmosphere, and Socioeconomic Systems

     Sharon Zhong (Michigan State University)

     Field of Science: Atmospheric Sciences

333. Threebody forces in medium mass nuclei

     Gaute Hagen (Oak Ridge National Laboratory)

     Field of Science: Physics

334. Rational Design of Catalytic Materials for the Transformation of Lignocellulosic Biomass to Fuels and Chemicals

     Siris Laursen (University of Tennessee, Knoxville)

     Field of Science: Chemistry

335. Computational Explorations in to Population Level Disease Spread using Agent Based Modeling

     Shawn Brown (Pittsburgh Supercomputing Center)

     Field of Science: Environmental Biology

336. Direct numerical simulation of turbulent sooting flames

     Wei Wang (University of Tennessee, Knoxville)

     Field of Science: Chemical, Thermal Systems

337. Direct Numerical Simulation of Reacting Compressible Turbulent Flows

     Cyrus Madnia (SUNY at Buffalo)

     Field of Science: Chemical, Thermal Systems

338. Conjugate Heat Transfer of Stagnating Boundary Layer with Film Cooling

     Andrew Duggleby (Texas A&M University)

     Field of Science: Chemical, Thermal Systems

339. Dense discrete phase fluid-particulate simulations using OpenMP

     Danesh Tafti (Virginia Polytechnic Institute and State University)

     Field of Science: Chemical, Thermal Systems

340. Computational Chemistry Method Development and Applications

     Angela Wilson (University of North Texas)

     Field of Science: Chemistry

341. Lattice Boltzmann Model (LBM) based Simulations for Nuclear Reactor Thermo-Hydraulics

     Prashant Jain (Oak Ridge National Laboratory)

     Field of Science: Chemical, Thermal Systems

342. Multiphase flow modelling in chemical processes

     Krishnaswamy Nandakumar (Louisiana State University)

     Field of Science: Chemical, Thermal Systems

343. Campus Champion for UNC Chapel Hill

     Mark Reed (University of North Carolina, Chapel Hill)

     Field of Science: Cross-Disciplinary Activities

344. MOLECULAR DYNAMICS SIMULATIONS OF THE GROWTH AND AGGLOMERATION OF CARBONACEOUS NANOPARTICLES IN REACTIVE FLOW

     Soumik Banerjee (University of Michigan)

     Field of Science: Chemical, Thermal Systems

345. Simulations of turbulent mixing driven by strong shocks

     Praveen Ramaprabhu (University of North Carolina, Charlotte)

     Field of Science: Chemical, Thermal Systems

346. The adsorption of dipolar molecules subject to the fluid flow

     Seth Lichter (Northwestern University)

     Field of Science: Chemical, Thermal Systems

347. Large Eddy Simulation Investigations of Aviation Environmental Impacts

     Sanjiva Lele (Stanford University)

     Field of Science: Chemical, Thermal Systems

348. MHD Simulations of AGN Jets in Galaxy Clusters

     Brian Morsony (University of Wisconsin-Madison)

     Field of Science: Astronomical Sciences

349. Advanced Computational Techniques for Fire Suppression Systems

     Sophia Lefantzi (Sandia National Laboratories)

     Field of Science: Chemical, Thermal Systems

350. Direct Numerical Simulation of Particle-laden Turbulent Flows

     Lance Collins (Cornell University)

     Field of Science: Chemical, Thermal Systems

351. Reduced-order models for control of fluids

     Clarence Rowley (Princeton University)

     Field of Science: Chemical, Thermal Systems

352. Evaluation and Optimization of a Parallel Immersed Boundary Flow Solver for Biological Applications

     Rajat Mittal (Johns Hopkins University)

     Field of Science: Chemical, Thermal Systems

353. Unsteady Simulations of Round Jet Microjet Combination for Noise Suppression

     Luc Mongeau (Purdue University)

     Field of Science: Chemical, Thermal Systems

354. Computational Studies of RNA Recognition and Catalysis

     Maria Nagan (Truman State University)

     Field of Science: Chemistry

355. Investigating morphology evolution in thin-film organic solar cells: Exploring the phase-space of processing conditions

     Baskar Ganapathysubramanian (Iowa State University)

     Field of Science: Chemical, Thermal Systems

356. Computational studies of conformational entropy effects and optimization of ligand binding

     James Crooks (University of Chicago)

     Field of Science: Molecular Biosciences

357. A Parallel Programming Approach to Face Recognition Using the ViolaJones Algorithm

     Susan Piotrowski (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

358. PHOTOSPHERIC EMISSION OF MAGNETIZED AND EXTREME GAMMA-RAY BURST JETS

     Diego Lopez-Camara (North Carolina State University at Raleigh)

     Field of Science: Astronomical Sciences

359. Simulations of Strongly Correlated Systems

     Juana Moreno (Louisiana State University)

     Field of Science: Materials Research

360. Numerical study of polymorphism in MyocOLF aggregations

     Eli Hershkovits (Georgia Institute of Technology)

     Field of Science: Molecular Biosciences

361. Phase Transitions in Unsupervised Clustering - Applications to Processing Genomic Sequencing Data

     Aaron Golden (Albert Einstein College of Medicine)

     Field of Science: Molecular Biosciences

362. Realistic Simulation of Jet Engine Noise using Petaflop Computing

     Gregory A. Blaisdell (Purdue University)

     Field of Science: Chemical, Thermal Systems

363. Simulations of Gas Sorption in Metal-Organic Materials

     Brian Space (University of South Florida)

     Field of Science: Chemistry

364. 3-D and 4-D geodynamic models of subduction zones

     Dave Stegman (University of California-San Diego)

     Field of Science: Earth Sciences

365. Magnetic Reconnection in High-Energy-Density Laser-Produced Plasmas

     William Fox (University of New Hampshire)

     Field of Science: Physics

366. QMC study of adsorption of nobel gases on Carbon Nanotubes

     Wissam Al-Saidi (University of Pittsburgh)

     Field of Science: Materials Research

367. Potential Energy Surfaces for Hydrogen Quantum Dynamics in Porous Materials

     Juergen Eckert (University of California-Santa Barbara)

     Field of Science: Chemistry

368. Analysis of Tropocollagne-Hydroxyapatite (TC-HAP) nanocomposite material interface

     Vikas Tomar (Purdue University)

     Field of Science: Materials Research

369. Quantum Monte Carlo Study of Lattice Hardcore Bosons with Diagonal Random Disorder

     Kaushik Mitra (National Institute of Standards & Technology)

     Field of Science: Materials Research

370. Social Informatics Data Grid

     Sarah Kenny (University of Chicago)

     Field of Science: Behavioral and Neural Sciences

371. The oxidation of silicon carbide and structure-defects-mobility relations

     Xiao Shen (University of Memphis)

     Field of Science: Materials Research

372. Benchmarking and parallel algorithm improvement for CHARMM with an application to carbohydrate modeling.

     Eric Knoll (National Renewable Energy Laboratory)

     Field of Science: Advanced Scientific Computing

373. Modeling of Coarsening in Solid Oxide Fuel Cell Electrodes

     Hui-Chia Yu (University of Michigan)

     Field of Science: Materials Research

374. ICMR/UC Santa Barbara Summer School on Materials Modeling

     Francois Gygi (University of California-Davis)

     Field of Science: Materials Research

375. Massively Parallel Computations of Fluid-Solid Transitions in Nanoconfined Fluids

     Peter Cummings (Vanderbilt University)

     Field of Science: Materials Research

376. Ab-initio Molecular Dynamics Investigation of Complex Hydride Kinetics

     Christopher Wolverton (Northwestern University)

     Field of Science: Materials Research

377. Evolutionary bet-hedging and phenotypic plasticity in complex environments: the role of epigenetic architecture, host-parasite interactions, and niche construction

     Marcus Feldman (Stanford University)

     Field of Science: Environmental Biology

378. Dynamics and Contoral of Epidemics on Networks

     Marcel Salathe (Stanford University)

     Field of Science: Environmental Biology

379. First-principles calculation of Pb-salt quantum dot-molecule systems

     Byung-Ryool Hyun (Cornell University)

     Field of Science: Materials Research

380. Understanding Charge and Ion Transport

     Xi Lin (Boston University)

     Field of Science: Materials Research

381. Quantitative Prediction of Hydrogen Traps in Steels and Relation to Embrittlement Behavior

     Christopher Wolverton (Northwestern University)

     Field of Science: Materials Research

382. Computational investigation on diffusional mechanism in metallic glassess

     Yujie Wei (University of Alabama)

     Field of Science: Materials Research

383. Developing Grid Aware Reservoir Simulation Tools and Technologies

     Yaakoub El Khamra (University of Texas at Austin)

     Field of Science: Design and Manufacturing Systems

384. Molecular Dynamics of Carbon Nanotube Growth

     Boris Yakobson (Rice University)

     Field of Science: Materials Research

385. Defects and phase stabilities of complex oxides under extreme conditions

     Jianwei Wang (Louisiana State University)

     Field of Science: Materials Research

386. Ab-initio Molecular Dynamics Investigation of Complex Hydride Kinetics

     Christopher Wolverton (Northwestern University)

     Field of Science: Materials Research

387. Electronic band structure investigations of complex oxides for photovoltaic applications

     Julia Medvedeva (Missouri University of Science and Technology)

     Field of Science: Materials Research

388. Performance Analysis of OMEN

     Mathieu Luisier (ETH Zurich)

     Field of Science: Design and Manufacturing Systems

389. Effect of the electrostatic interactions on lubrication in polymers and biological systems

     Andrey Dobrynin (University of Connecticut)

     Field of Science: Materials Research

390. IEEE Largescale Data Analysis and Visualization Contest

     Sean Ahern (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

391. Medicaid Provider Repository and Related Fraud Analysis with Apache Spark

     Edmon Begoli (PYA Analytics)

     Field of Science: Computer and Computation Research

392. First-Principle Simulations of Particle Acceleration and Nonthermal Emission in Magnetically-Dominated Jets

     Lorenzo Sironi (Harvard University)

     Field of Science: Astronomical Sciences

393. Simulations for 2D and 3D dendrite growth during alloy solidification

     Bohumir Jelinek (Mississippi State University)

     Field of Science: Electrical and Communication Systems

394. Scaling communication performance for massively parallel applications

     Ashok Srinivasan (Florida State University)

     Field of Science: Computer and Computation Research

395. DMFT investigation of H Impurities in Semiconductors

     William Butler (University of Alabama)

     Field of Science: Physics

396. Effects of a Disease-Associated Polymorphism on Conformations of an Intrinsically Unstructured Protein : Molecular Dynamics over Microseconds

     Grace Brannigan (Rutgers, the State University of New Jersey)

     Field of Science: Molecular Biosciences

397. Development of Parallel 3D Nonhydrostatic Spectral Element Atmospheric Model

     James Kelly (Naval Postgraduate School)

     Field of Science: Atmospheric Sciences

398. blowup versus global existence for nonlinear wave equations

     Wilhelm Schlag (University of Chicago)

     Field of Science: Mathematical Sciences

399. Investigating Deformation and Failure Mechanisms in Nanoscale Multilayer Metallic Composites Molecular Dynamics Studies

     Hussein Zbib (Washington State University)

     Field of Science: Materials Research

400. Calculating an eddy-permitting Arctic & Sub-Polar State Estimate for climate research

     Constantinos Evangelinos (Massachusetts Institute of Technology)

     Field of Science: Polar Programs

401. Large scaled first principle electronic structure simulation for nano-scaled materials systems

     Shin Chou (National Institute of Standards and Technology)

     Field of Science: Materials Research

402. Parallel CLimate Data Analysis on SDSC Dash

     John Dennis (National Center for Atmospheric Research)

     Field of Science: Advanced Scientific Computing

403. Design of multifunctional superlattices by interface engineering

     Xifan Wu (Temple University)

     Field of Science: Materials Research

404. Towards the Development of new numerical methods for Storm-Surge Modeling

     Shivasubramanian Gopalakrishnan (Naval Postgraduate School)

     Field of Science: Mathematical Sciences

405. Crystal structure prediction

     Artem Oganov (SUNY at Stony Brook)

     Field of Science: Materials Research

406. Chemical and thermodynamic stability of Pt clusters in the sub-nanometer regime

     Marisol Alcantara Ortigoza (University of Central Florida)

     Field of Science: Materials Research

407. Atomistic simulations of materials for energy storage and carbon capture

     Donald J. Siegel (University of Michigan)

     Field of Science: Materials Research

408. Increasing chemical reactivity of carbon materials via alkali metal dosing

     Pabitra Choudhury (New Mexico Institute of Mining and Technology)

     Field of Science: Materials Research

409. Scaling spectral simulations on hybrid systems

     Benson Muite (University of Tartu)

     Field of Science: Mathematical Sciences

410. Computational Advanced Materials Endstation

     Jacek Jakowski (Oak Ridge National Laboratory)

     Field of Science: Materials Research

411. Accelerating the solution of large scale eigenvalue problems in density functional theory

     Yunkai Zhou (Southern Methodist University)

     Field of Science: Mathematical Sciences

412. Using Adaptivity to Enable Timely Hazardous Mass Flow Modeling and Risk Analysis

     Abani Patra (SUNY at Buffalo)

     Field of Science: Mathematical Sciences

413. Calculation of Ultrasound Wave Propagation in Three Dimensions

     Robert Waag (University of Rochester)

     Field of Science: Mathematical Sciences

414. Efficient Algorithms and Software for Eigen-related Problems

     Yunkai Zhou (Southern Methodist University)

     Field of Science: Mathematical Sciences

415. CIG Science Gateway and Community Codes for the Geodynamics Community

     Michael C. Gurnis (California Institute of Technology)

     Field of Science: Earth Sciences

416. Large Scale Molecular Dynamics Simulations of Geoliquids

     Frank Spera (University of California-Santa Barbara)

     Field of Science: Earth Sciences

417. Efficient Lattice Boltzmann Methods for Multiphase and Multicomponent Flows

     Li-Shi Luo (Old Dominion University)

     Field of Science: Mathematical Sciences

418. Insight into biomolecular structure, dynamics, interactions and energetics from simulation

     Thomas Cheatham (University of Utah)

     Field of Science: Cross-Disciplinary Activities

419. Performance Evaluation Using the TAU Performance System

     Sameer Shende (University of Oregon)

     Field of Science: Advanced Scientific Computing

420. Stochastic Models of Fractured Dolomite Aquifers

     Douglas Walker (University of Illinois at Urbana-Champaign)

     Field of Science: Earth Sciences

421. Reciprocal BLAST Analysis of the UniProt Knowledgebase

     Cathy Wu (Georgetown University)

     Field of Science: Molecular Biosciences

422. GPU and MulticoreAccelerated Multigrid Solvers and Meshing Techniques for ImagingBased Multiscale Biomedical Modeling

     Xiangmin Jiao (Stony Brook University)

     Field of Science: Mathematical Sciences

423. Optimizing Parallel and Adaptive Simulation Infrastructure for Biological FluidStructure Interaction for the Beacon Cluster at the National Institute for Computational Science

     Boyce Griffith (New York University School of Medicine)

     Field of Science: Mathematical Sciences

424. Coarsegrained and Atomistic Molecular Dynamics Simulations of Organic Photovoltaics

     Jan-Michael Carrillo (University of Connecticut)

     Field of Science: Materials Research

425. Dynamics of Nucleosome Tails

     Jochen Erler (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

426. J-Matrix Calculation of Two-Electron Eigenstates of the He Atom

     Jean Marcel Ngoko Djiokap (University of Nebraska at Lincoln)

     Field of Science: Physics

427. Fundamental study of electronic excitations and manybody effects in complex materials

     Adolfo Eguiluz (University of Tennessee, Knoxville)

     Field of Science: Physics

428. CAMPUS CHAMPION FOR NORFOLK STATE UNIVERSITY

     Eduardo Socolovsky (Norfolk State University)

     Field of Science: Training

429. Computational studies of the CARRXR nuclear receptor dimer and the importance of heteroligand interactions

     Ricky Nellas (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

430. Full Human Body Finite Element Modeling

     Joel Stitzel (Wake Forest University)

     Field of Science: Materials Research

431. The Evolution of Galaxy-Dark Matter Connection

     Jeremy Tinker (New York University)

     Field of Science: Astronomical Sciences

432. Neural Circuit Model for Decision Making Confidence

     Rudiger von der Heydt (Johns Hopkins University)

     Field of Science: Integrative Biology and Neuroscience

433. Large Scale Atomistic Simulation of Quantum Transport through Heterogeneous Interface

     Jing Guo (University of Florida)

     Field of Science: Electrical and Communication Systems

434. 3D seismic modeling and imaging via a massively parallel direct Helmholtz solver

     Maarten de Hoop (Purdue University)

     Field of Science: Earth Sciences

435. Hybrid MPI/OpenMP computing of dynamic earthquake ruptures

     Benchun Duan (Texas A&M University)

     Field of Science: Earth Sciences

436. Development of a Full-Core HTR Benchmark using MCNP5 and RELAP5-ATHENA

     William Martin (University of Michigan)

     Field of Science: Electrical and Communication Systems

437. Earthquake ground motion simulations in the Wasatch Front: validation scenarios

     Morgan Moschetti (US Geological Survey)

     Field of Science: Earth Sciences

438. Computational Micro and Nanophotonics

     Shanhui Fan (Stanford University)

     Field of Science: Electrical and Communication Systems

439. Quantum Monte Carlo Calculation of the Perovskite to Post-Perovskite Phase Transition

     Burkhard Militzer (University of California, Berkeley)

     Field of Science: Earth Sciences

440. Development and Testing of a CFD Based SPMD Approach for Exploring Active Fin Control in a Knifefish

     Noah Cowan (Johns Hopkins University)

     Field of Science: Integrative Biology and Neuroscience

441. Mantle Convection and Plate Tectonics Simulations using CitcomS

     Adrian Lenardic (Rice University)

     Field of Science: Earth Sciences

442. Progress Towards a Comprehensive Theory of Star Formation From Brown Dwarfs to High Mass Stars and on to Giant Molecular Clouds

     Richard I. Klein (University of California-Berkeley)

     Field of Science: Astronomical Sciences

443. Molecular Modeling of Nanoscale Structure and Dynamics of Geologically and Environmentally Important Aqueous Solutions and Substrate-Solution Interfaces

     Andrey G. Kalinichev (Ecole des Mines de Nantes)

     Field of Science: Earth Sciences

444. Physical Models for Active and Passive Microwave Remote Sensing of Snow in Greenland Ice Sheets

     Leung Tsang (University of Michigan)

     Field of Science: Earth Sciences

445. Supplemental allocation for Campus Champion

     Roger Moye (University of Texas MD Anderson Cancer Center)

     Field of Science: Information, Robotics, and Intelligent Systems

446. Scalability Analysis of OMEN, a Multi-Level Parallel Simulator for to Nanoelectronic Devices

     Faisal Saied (Purdue University)

     Field of Science: Electrical and Communication Systems

447. First-Principles study on C-S-H real structure and its physical properties

     Sidney Yip (Massachusetts Institute of Technology)

     Field of Science: Electrical and Communication Systems

448. First principles study of the atomistic-level structure of C-S-H

     Franz-Josef Ulm (Massachusetts Institute of Technology)

     Field of Science: Physics

449. High-Frequency Simulations of Global Seismic Wave Propagation

     Jeroen Tromp (Princeton University)

     Field of Science: Earth Sciences

450. Numerical Relativity and Black Hole Mergers

     Erik Schnetter (Perimeter Institute for Theoretical Physics)

     Field of Science: Physics

451. Simulations of Cardiac Fluid Dynamics

     Boyce Griffith (New York University)

     Field of Science: Integrative Biology and Neuroscience

452. Scaling in Turbulence and Turbulent Mixing

     Pui-kuen Yeung (Georgia Institute of Technology)

     Field of Science: Chemical, Thermal Systems

453. Project Account for UT Student Cluster Competition Team

     Vincent Betro (Baylor School Chattanooga)

     Field of Science: Educational

454. A Federated Request for Evaluating Xeon Phi for Largescale Multidomain Scientific Computing Applications

     Duane Rosenberg (Oak Ridge National Laboratory)

     Field of Science: Cross-Disciplinary Activities

455. Visualization of High Resolution Numerical Simulation Data

     Derek Posselt (University of Michigan)

     Field of Science: Atmospheric Sciences

456. EntropyViscosity LES

     Adam Larios (Texas A&M University)

     Field of Science: Mathematical Sciences

457. Modeling continental CO2 inversion

     William Riley (Lawrence Berkeley National Laboratory)

     Field of Science: Atmospheric Sciences

458. Campu Champion for University of Minnesota

     Pedro da Silveira (University of Minnesota)

     Field of Science: Earth Sciences

459. Massively Parallel Geomorphology

     Chris Hill (M.I.T)

     Field of Science: Earth Sciences

460. Evolution of the Intergalactic Medium

     Renyue Cen (Princeton University)

     Field of Science: Astronomical Sciences

461. Adaptive Tempering Monte Carlo

     Estela Blaisten-Barojas (George Mason University)

     Field of Science: Chemistry

462. CADES

     Sean Ahern (University of Tennessee, Knoxville)

     Field of Science: ----

463. Why is the diurnal cycle of convection improved in a prototype multiscale climate model?

     Richard Somerville (Scripps Institution of Oceanography)

     Field of Science: Atmospheric Sciences

464. Campus Champion

     David Toth (Centre College)

     Field of Science: Computer and Computation Research

465. Identification of Mechanism Based Inhibitors of Oncogene Pathways Using HighPerformance Docking

     Bhanu Rekepalli (other)

     Field of Science: Chemistry

466. Molecular Mechanisms of Cadherin Dynamics and Sound Transduction

     David Corey (Harvard University)

     Field of Science: Molecular Biosciences

467. High-Fidelity Numerical Simulations of Problems in Jet Aeroacoustics

     Ali Uzun (Florida State University)

     Field of Science: Advanced Scientific Computing

468. Structure Based Design of Cell Penetrating Peptides

     Sandhya Kortagere (Drexel University)

     Field of Science: Molecular Biosciences

469. Lattice QCD Study of Hadronic Interactions

     Martin Savage (University of Washington)

     Field of Science: Physics

470. Molecular Modeling of Complex Biological Systems

     Clare McCabe (Vanderbilt University)

     Field of Science: Molecular Biosciences

471. Next-Generation Force Fields from Accurate Quantum Chemical Calculations

     Karl F. Freed (University of Chicago)

     Field of Science: Chemistry

472. Multi-scale molecular simulations of macromolecular interactions in living systems

     Margaret Cheung (University of Houston)

     Field of Science: Molecular Biosciences

473. The Formation and Evolution of X-ray Clusters, Galaxies, and the First Stars

     Greg L. Bryan (Columbia University in the City of New York)

     Field of Science: Astronomical Sciences

474. A Web Interface for Scoring in Computational Drug Design (Renewal)

     Samy Meroueh (Indiana University)

     Field of Science: Molecular Biosciences

475. Molecular Simulation of Membrane Receptors

     Cameron Abrams (Drexel University)

     Field of Science: Molecular Biosciences

476. Ligand binding mechanism in the visual photoreceptor opsin, a G-protein-coupled receptor (GPCR)

     Thomas Huber (Rockefeller University)

     Field of Science: Molecular Biosciences

477. Lattice Field Theory Simulations

     John B. Kogut (University of Maryland, College Park)

     Field of Science: Physics

478. Supercell/Tornado Genesis, Structure and Evolution Studies

     Robert Wilhelmson (University of Illinois at Urbana-Champaign)

     Field of Science: Atmospheric Sciences

479. Parallel Simulations of Blood Flow

     George Karniadakis (Brown University)

     Field of Science: Chemical, Thermal Systems

480. Molecular Biophysics Simulations: Neutron Scattering and Bioenergy

     Jeremy Smith (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

481. Macromolecular and Cell Simulations

     Thomas Kepler (Duke University)

     Field of Science: Molecular Biosciences

482. Molecular Dynamics Simulations of Semistructured Biomolecules

     Michael Colvin (University of California, Merced)

     Field of Science: Molecular Biosciences

483. Multiscale Modeling of Biomembranes

     Roland Faller (University of California-Davis)

     Field of Science: Molecular Biosciences

484. Structural Study of a DNA Adduct

     Suse Broyde (New York University)

     Field of Science: Molecular Biosciences

485. Intermittency in Interstellar Turbulence

     Alexei Kritsuk (University of California-San Diego)

     Field of Science: Astronomical Sciences

486. Simulations of Semiconductor Nanoparticles

     Giulia Galli (University of California-Davis)

     Field of Science: Materials Research

487. Dynamics of interactions between biological membranes and carbonaceous nanoparticles

     Angela Violi (University of Michigan)

     Field of Science: Chemistry

488. Potential Energy Surfaces of Various Accuracy for Molecular Simulations

     Teresa Head-Gordon (University of California-Berkeley)

     Field of Science: Chemistry

489. Diagnosis of Neurodegenerative Disease using Diffusion Tensor Imaging

     Frank Skidmore (UAB School of Medicine)

     Field of Science: Biological and Critical Systems

490. Network Troubleshooting

     Nichole Boscia (NASA)

     Field of Science: Networking and Communications Research

491. Membrane proteins: from assembly to action

     Stephen White (University of California-Irvine)

     Field of Science: Molecular Biosciences

492. Campus Champion for West Virginia State University

     Joseph Domaschko (West Virginia State University)

     Field of Science: Information, Robotics, and Intelligent Systems

493. The sodium/galactose symporter crystal structure is a dynamic, not so occluded state.

     Ivet Bahar (University of Pittsburgh)

     Field of Science: Molecular Biosciences

494. Computing the Thermodynamic Forces of Decomposing a Cellulose Microfibril

     Jhih-Wei Chu (University of California-Berkeley)

     Field of Science: Molecular Biosciences

495. Fluorescent Proteins/Science Leaders

     Marc Zimmer (Connecticut College)

     Field of Science: Molecular Biosciences

496. Molecular Dynamics Simulation Studies of Recognition and Repair of DNA damage

     Arthi Jayaraman (University of Delaware)

     Field of Science: Molecular Biosciences

497. Effects of entrance geometry on red blood cell motion through pores: Parallel simulations

     Igor Pivkin (Massachusetts Institute of Technology)

     Field of Science: Molecular Biosciences

498. Folding studies of the Alzheimer amyloid beta-protein in confined environments using all-atom molecular dynamic simulations

     Srinivasa Rao Jampani (New Jersey Institute of Technology)

     Field of Science: Molecular Biosciences

499. Brownian dynamics with hydrodynamic interactions

     Tamara Frembgen-Kesner (University of Iowa)

     Field of Science: Molecular Biosciences

500. SAM Radical Proteins

     Catherine Drennan (Massachusetts Institute of Technology)

     Field of Science: Molecular Biosciences

501. Structure Prediction of G Protein-Coupled Receptors

     Ravinder Abrol (Cedars-Sinai Medical Center)

     Field of Science: Molecular Biosciences

502. Villous Motility as a Critical Mechanism for Efficient Nutrient Absorption in the Small Intestine

     James Brasseur (University of Colorado, Boulder)

     Field of Science: Molecular Biosciences

503. Molecular dynamics simulations of A-beta protein aggregation

     Jie (Jessy) Li (University of California-Davis)

     Field of Science: Molecular Biosciences

504. Domain-Ligand Binding Free Energy Calculations on PDC109, a two-Domain Protein

     Hyung Joon Kim (Carnegie Mellon University)

     Field of Science: Molecular Biosciences

505. Molecular Dynamics Simulations of a G-protein-coupled receptor (GPCR) Signalosome: the Complex of Opsin with the Heterotrimeric G-Protein Transducin

     Thomas Huber (Rockefeller University)

     Field of Science: Molecular Biosciences

506. Effects of entrance geometry on red blood cell motion through pores: Parallel simulations

     Igor Pivkin (Massachusetts Institute of Technology)

     Field of Science: Molecular Biosciences

507. Application of PTMap2 for protein posttranslational modification analysis

     Yingming Zhao (University of Chicago)

     Field of Science: Molecular Biosciences

508. Determining Functional Domains from Genomic Data Using Supercomputers

     Igor Jouline (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

509. Atomistic simulations of carbon nanotubes entering cells

     Robert Hurt (Brown University)

     Field of Science: Molecular Biosciences

510. Molecular Dynamics Simulations of the 20S Proteasome

     Sue Travis (University of Iowa)

     Field of Science: Molecular Biosciences

511. Design of high affinity monomeric streptavidin by MD simulation

     Sheldon Park (SUNY at Buffalo)

     Field of Science: Molecular Biosciences

512. Nonlinear Optical Interaction of Nanoparticles

     Scott Fraser (California Institute of Technology)

     Field of Science: Molecular Biosciences

513. Incorporation of pH Effects In Biochemical Simulation

     Jason Swails (University of Florida)

     Field of Science: Molecular Biosciences

514. Villous motility as a critical mechanism for efficient nutrient absorption in the small intestine

     James Brasseur (University of Colorado, Boulder)

     Field of Science: Molecular Biosciences

515. Simulations of Cellulose I with multiple force fields

     James Matthews (National Renewable Energy Laboratory)

     Field of Science: Molecular Biosciences

516. Large Scale Molecular Dynamics Simulations of the Chemomechanical Coupling in AAA Protein p97

     Jeffery Wereszczynski (University of California-San Diego)

     Field of Science: Molecular Biosciences

517. Free Energy Calculations of Protein Kinase Inhibitor Interactions

     Adrian Elcock (University of Iowa)

     Field of Science: Molecular Biosciences

518. Computational Biophysics: Advanced Techniques for Protein Folding

     Jim Pfaendtner (University of Washington)

     Field of Science: Molecular Biosciences

519. Development of PTMap2.0 for genome-wide protein posttranslational modification analysis

     Yingming Zhao (University of Chicago)

     Field of Science: Molecular Biosciences

520. Simulation Studies of clinically observed JAK2 mutations

     Tai-Sung Lee (Rutgers, the State University of New Jersey)

     Field of Science: Molecular Biosciences

521. Coarse-Grain Models of Virus Assembly

     Stephen Harvey (University of Pennsylvania)

     Field of Science: Molecular Biosciences

522. Computational analysis of Protein Complex Binding

     Lydia Kavraki (Rice University)

     Field of Science: Molecular Biosciences

523. Benchmarking and Testing of AMBER and CHARMM

     Ross Walker (University of California-San Diego)

     Field of Science: Molecular Biosciences

524. Modeling of Fluid Flow and Bacterial Transport in Micromodels

     Markus Hilpert (Johns Hopkins University)

     Field of Science: Earth Sciences

525. ManyMulticore acceleration of Numerical Weather Prediction models and kernels

     John Michalakes (NOAA)

     Field of Science: Atmospheric Sciences

526. Gamow Shell Model for light nuclei

     Nicolas Michel (University of Tennessee, Knoxville)

     Field of Science: Physics

527. Magnetohydrodynamics of the solar interior

     Nicholas Brummell (University of California-Santa Cruz)

     Field of Science: Astronomical Sciences

528. Scalability using OpenMP

     Sunita Chandrasekaran (University of Houston)

     Field of Science: Computer and Computation Research

529. landscape configuration on forest insect outbreak dynamics

     Eric Carr (NIMBioS)

     Field of Science: Environmental Biology

530. Developing the Universal Nuclear Energy Density Functional

     Witold Nazarewicz (University of Tennessee, Knoxville)

     Field of Science: Physics

531. Blood Flow and Pressure Wave Propagation in a Whole-Body Scale Deformable Cardiovascular Model

     Carlos Figueroa (Kings College London)

     Field of Science: Mechanical and Structural Systems

532. Campus Champion for Albert Einstein College of Medicine

     Joseph Hargitai (Albert Einstein College of Medicine)

     Field of Science: Molecular Biosciences

533. Molecular-Scale Understanding and Design of Zwitterionic Materials

     Shaoyi Jiang (University of Washington)

     Field of Science: Molecular Biosciences

534. Computational Biophysics: Advanced Techniques for Protein Folding

     Jim Pfaendtner (University of Washington)

     Field of Science: Molecular Biosciences

535. Horizontal Convection in High Rayleigh Number

     Mehmet Ilicak (Princeton University)

     Field of Science: Ocean Sciences

536. Molecular Dynamics of Kinases and Membrane Transporters

     Robert Jernigan (Iowa State University)

     Field of Science: Molecular Biosciences

537. Thermal conductivity of carbon nanotubes with defects and junctions

     Haibin Chen (Carnegie Mellon University)

     Field of Science: Mechanical and Structural Systems

538. All-atom (AA) and Coarse Grain (CG) Molecular Dynamics Simulations of Membrane Proteins in Complex Biological Systems

     Preston Benoni Moore (University of the Sciences in Philadelphia)

     Field of Science: Molecular Biosciences

539. Multiscale Models of Cellular Mechanotransduction

     Mohammad Mofrad (University of California-Berkeley)

     Field of Science: Molecular Biosciences

540. Towards gaining insights into the mechanism of transport by the carnitine/γ-butyro-betaine antiporter and comparison with Na+-coupled symporters

     Ivet Bahar (University of Pittsburgh)

     Field of Science: Molecular Biosciences

541. Atomistic Molecular Dynamics Studies of DNA Damage Recognition

     Arthi Jayaraman (University of Delaware)

     Field of Science: Molecular Biosciences

542. Design and optimization of hemostatic peptides

     Thomas Cheatham (University of Utah)

     Field of Science: Molecular Biosciences

543. Docking Peptides to ClpB by MD Simulation: An Investigation of the Molecular Machine that Targets Aggregated Proteins

     Elizabeth Ploetz (Kansas State University)

     Field of Science: Molecular Biosciences

544. Computational studies of G-protein coupled receptor (GPCR)-ligand interactions

     Ting Wang (University of California-Davis)

     Field of Science: Molecular Biosciences

545. Physics of Charm and Bottom Baryons

     William Detmold (Massachusetts Institute of Technology)

     Field of Science: Physics

546. Flexibility vs. preorganization: Atomistic simulations of partner recognition by natively unfolded proteins

     Lillian Chong (University of Pittsburgh)

     Field of Science: Molecular Biosciences

547. Simulations of Nuclear Pore Transport

     Ajay Gopinathan (University of California, Merced)

     Field of Science: Molecular Biosciences

548. Comparison of molecular dynamics and 2D-IR spectroscopy for HIV-RT ligand binding.

     Michael Shirts (University of Colorado, Boulder)

     Field of Science: Molecular Biosciences

549. Gravitational and Electromagnetic Dynamics around Black Holes

     Manuel Tiglio (University of Maryland, College Park)

     Field of Science: Physics

550. Elastic-Viscoelastic properties of Soft Biological Tissues from Magnetic Resonance Elastography: Inverse Finite Element Simulations

     Ravi Namani (1998)

     Field of Science: Mechanical and Structural Systems

551. Hybrid Particle Element Method for Impact Dynamics Simulation

     Eric Fahrenthold (University of Texas at Austin)

     Field of Science: Mechanical and Structural Systems

552. Large Eddy Simulations of Gas Turbine Heat Transfer and Aerodynamics

     Andrew Duggleby (Texas A&M University)

     Field of Science: Chemical, Thermal Systems

553. Eddy diffusivities in the Southern Ocean from an eddying model

     Alexa Griesel (Scripps Institution of Oceanography)

     Field of Science: Ocean Sciences

554. Atomic and Molecular Collision Dynamics using Petascale Computing Systems

     Francis Robicheaux (Auburn University)

     Field of Science: Physics

555. Atomistic simulations for plastic deformation in nano-twinned copper

     Huajian Gao (Brown University)

     Field of Science: Mechanical and Structural Systems

556. Campus Champion Program for Monmouth College

     Christopher Fasano (Monmouth College)

     Field of Science: Physics

557. Object Based Caching for MPI-IO

     Phillip Dickens (University of Maine)

     Field of Science: Networking and Communications Research

558. Productivity from Open, INtegrated Tools (POINT)

     Raghurama Reddy (National Oceanic and Atmospheric Administration)

     Field of Science: Microelectronic Information Processing Systems

559. Ab Initio Molecular Dynamics Simulation and DFT Calculations of Atomic Structures Phase Transformations And Oxidation Of HighEntropy Alloys

     Peter Liaw (University of Tennessee, Knoxville)

     Field of Science: Materials Research

560. Advanced Atmospheric Chemistry Simulation and Analysis

     Rick Saylor (National Oceanic and Atmospheric Administration)

     Field of Science: Atmospheric Sciences

561. I/O Benchmarking for Blue Water

     Marianne Winslett (University of Illinois at Urbana-Champaign)

     Field of Science: Advanced Scientific Computing

562. Spectral Slope of MHD Turbulence

     Alex Lazarian (University of Wisconsin-Madison)

     Field of Science: Astronomical Sciences

563. Bayesian Analysis of Neutron Star Observations to Determine the Nature of Dense Matter

     Andrew Steiner (University of Tennessee, Knoxville)

     Field of Science: Physics

564. Magnetic Reconnection in Laser-Produced Plasmas

     William Fox (University of New Hampshire)

     Field of Science: Physics

565. Campus Champion for Columbia University

     Rob Lane (Columbia University in the City of New York)

     Field of Science: Training

566. Compact Object Binary Simulations in Full General Relativity : Exploring the Short GRB Central Engine

     Frans Pretorius (Princeton University)

     Field of Science: Physics

567. Binary Black Hole Simulations: Creation of a public gravitational wave repository at Florida Atlantic University

     Pedro Marronetti (National Science Foundation)

     Field of Science: Physics

568. Campus Champion

     Albert Everett (University of Arkansas, Little Rock)

     Field of Science: Training

569. J-Matrix Calculation of Two-Electron Eigenstates of the He Atom

     Jean Marcel Ngoko Djiokap (University of Nebraska at Lincoln)

     Field of Science: Physics

570. Simulations of Eccentric Black Hole-Neutron Star Mergers

     Branson Stephens (Princeton University)

     Field of Science: Physics

571. Simulations of ultracold few-body and many-body atomic and molecular systems and plasmas: a new TRAC proposal

     Hossein Sadeghpour (Smithsonian, Astrophys Obs)

     Field of Science: Physics

572. Comparative analysis of SuperMIC and Beacon via application benchmarks

     Bhupender Thakur (Louisiana State Univrsity)

     Field of Science: Computer and Computation Research

573. Phonon Localization in Nanocomposite Materials

     Bruce White (SUNY at Binghamton)

     Field of Science: Physics

574. The Excited Hadron Spectrum Using Single- and Multi-Hadron Operators

     Colin Morningstar (Carnegie Mellon University)

     Field of Science: Physics

575. TG-PHY100019 Anharmonic Vibrational Analysis beyond CCSD(T)

     Kalju Kahn (University of California-Santa Barbara)

     Field of Science: Physics

576. Numerical Relativity - Analytical Relativity Project Preparation

     Bernard Kelly (NASA Goddard Space Flight Center)

     Field of Science: Physics

577. Campus Champion for U. S. Naval Academy

     Don Garner (US Naval Academy)

     Field of Science: Educational

578. Campus Champions program for University of Pittsburgh

     Server Yilmaz (University of Pittsburgh)

     Field of Science: Educational

579. Campus Champion for Howard University

     Marcus Alfred (Howard University)

     Field of Science: Training

580. High-Performance Scientific Computing

     Elizabeth R. Jessup (University of Colorado)

     Field of Science: Educational

581. Probing Attosecond Electron-Correlation Dynamics in Atoms

     Suxing Hu (University of Rochester)

     Field of Science: Physics

582. Campus Champion for Indiana University

     Scott Teige (Indiana University)

     Field of Science: Physics

583. Campus Champion for RIT

     Gurcharan Khanna (Brown University)

     Field of Science: Training

584. Campus Champion for University of Kentucky

     Alan Dozier (University of Kentucky)

     Field of Science: Physics

585. Campus Champions program for University of Richmond

     Rene Kanters (University of Richmond)

     Field of Science: Training

586. Deformed QRPA with Energy-Density Functionals

     Jonathan Engel (University of North Carolina, Chapel Hill)

     Field of Science: Physics

587. Computer Aided Analysis of Tunneling Field-Effect Transistors

     Mathieu Luisier (ETH Zurich)

     Field of Science: Physics

588. Campus Champions program for Tulane University

     Hideki Fujioka (Tulane University)

     Field of Science: Training

589. Ultrashort Intense Laser-Matter Interactions

     Suxing Hu (University of Rochester)

     Field of Science: Physics

590. Campus Champions program for Case Western Reserve University

     Roger Bielefeld (Case Western Reserve University)

     Field of Science: Training

591. Performance tools for HPC Systems

     John Mellor-Crummey (Rice University)

     Field of Science: Computer and Computation Research

592. Comparative Genomics

     David Ussery (University of Tennessee, Knoxville)

     Field of Science: Biological and Critical Systems

593. MassiveScale Waveform Detection of Earthquake

     Zhigang Peng (Georgia Institute of Technology)

     Field of Science: Earth Sciences

594. Campus Champion for South Dakota State University

     Shawn Duan (South Dakota State University)

     Field of Science: Training

595. Prediction of Themodynamic and Kinetic Properties of Lignin Model Compounds

     Jarod Younker (Oak Ridge Institute for Science and Education)

     Field of Science: Chemistry

596. Atomistic Modeling of Hydrogen Storage in Nanostructured Carbons

     James Morris (Oak Ridge National Laboratory)

     Field of Science: Materials Research

597. Campus Champion for New York University

     Shenglong Wang (New York University)

     Field of Science: Training

598. Campus Champions for Kentcuky State University

     Chi Shen (Kentucky State University)

     Field of Science: Training

599. Campus Champion for WV Higher Education Policy Commission

     Jonathan Caldwell (West Virginia Higher Education Policy Commission)

     Field of Science: Training

600. Campus Champion Startup Request

     Joshua Alexander (University of Oklahoma)

     Field of Science: Training

601. CAPS Spring Run

     Ming Xue (University of Oklahoma)

     Field of Science: Atmospheric Sciences

602. Campus Champion for Merrimack College

     David Toth (Centre College)

     Field of Science: Training

603. Testing of STARCCM+ CFD Software

     Emilian Popov (Oak Ridge National Laboratory)

     Field of Science: Advanced Scientific Computing

604. ADIOS

     Scott Klasky (Oak Ridge National Laboratory)

     Field of Science: Advanced Scientific Computing

605. Student Cluster Competition Preparation

     Ricky Kendall (Oak Ridge National Laboratory)

     Field of Science: Chemistry

606. Quantum Monte Carlo Simulations

     Kenneth Jordan (University of Pittsburgh)

     Field of Science: Chemistry

607. US Navy DSRC

     Lee Whatley (DoD HPCMP)

     Field of Science: Training

608. Genome Analysis

     Zheng Liu (University of Texas at Austin)

     Field of Science: Biological and Critical Systems

609. federal interagency benchmarking project

     Robert Maier (USACE ERDC)

     Field of Science: Computer and Computation Research

610. An International, Dedicated High-End Computing Project to Revolutionize Climate Modeling

     Cristiana Stan (George Mason University)

     Field of Science: Atmospheric Sciences

611. Cray XT Cross-System Comparisons

     Kurt Carlson (University of Alaska (UAF))

     Field of Science: Computer and Computation Research

612. Protein Structure Modelling

     Yaohang Li (North Carolina A&T State University)

     Field of Science: Molecular Biosciences

613. Molecular Dynamics Studies in Describing The Molecular Basis of Infertility and Thyroid Conditions

     Angelo Rossi (University of Medicine and Dentistry of New Jersey)

     Field of Science: Molecular Biosciences

614. Plasma Physics Simulations using VPIC

     Ben Bergen (Los Alamos National Laboratory)

     Field of Science: Physics

615. High resolution simulations of tornadic vortices

     Amy McGovern (University of Oklahoma)

     Field of Science: Atmospheric Sciences

616. Aqua: Simulating an Adiabatic Quantum Algorithm

     Jeffrey Vetter (Oak Ridge National Laboratory)

     Field of Science: Advanced Scientific Computing

617. DNA transport and sequencing through a quadrupole gate

     Predrag Krstic (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

618. Turbulent Solar and Stellar Convection and Magnetic Dynamos

     Juri Toomre (University of Colorado)

     Field of Science: Astronomical Sciences

619. Analysis

     Mathieu Luisier (ETH Zurich)

     Field of Science: Design and Manufacturing Systems

620. Computational studies on lignin model compounds

     Ariana Beste (University of Tennessee, Knoxville)

     Field of Science: Chemistry

621. Biophysical Modeling and Simulation

     Gregory Voth (University of Chicago)

     Field of Science: Molecular Biosciences

622. NIMBioS

     Michael Vose (University of Tennessee, Knoxville)

     Field of Science: Cross-Disciplinary Activities

623. Calibration System Development

     Fanyou Kong (Atmospheric Technology Services Co)

     Field of Science: Atmospheric Sciences

624. Large-scale ecological and phenotypic diversification models

     Sergey Gavrilets (University of Tennessee, Knoxville)

     Field of Science: Environmental Biology

625. Innovative Computing Research (algorithms, parallel and HPC Computing)

     Jack Dongarra (University of Tennessee, Knoxville)

     Field of Science: Advanced Scientific Computing

626. Performance Modeling and Characterization (PMaC)

     Laura Carrington (University of California-San Diego)

     Field of Science: Advanced Scientific Computing

627. MILC code development

     Steven Gottlieb (Indiana University)

     Field of Science: Physics

628. Modeling Studies of Nano and Biomolecular Systems

     Adrian Roitberg (University of Florida)

     Field of Science: Molecular Biosciences

629. Climate Modeling

     Peter Gent (National Center for Atmospheric Research)

     Field of Science: Atmospheric Sciences

630. Biodiversity genomic data analysis

     Lonnie Crosby (University of Tennessee, Knoxville)

     Field of Science: Biological and Critical Systems

631. Quantum simulations of material properties

     James Chelikowsky (University of Texas at Austin)

     Field of Science: Materials Research

632. Toward Petascale Cosmological Simulations using the Adaptive Refinement Tree (ART) Code

     Zhiling Lan (Illinois Institute of Technology)

     Field of Science: Astronomical Sciences

633. Benchmarking and Profiling of the GPU accelerated version of AMBER

     Ross Walker (University of California-San Diego)

     Field of Science: Molecular Biosciences

634. Development of a Multiphysics Thermal analysis code on GPU cluster

     Kwai L. Wong (University of Tennessee, Knoxville)

     Field of Science: Chemical, Thermal Systems

635. Nautilus Group

     Sean Ahern (University of Tennessee, Knoxville)

     Field of Science: Cross-Disciplinary Activities

636. Constraint of density functional theory from coupled cluster calculations

     Jason Holt (University of Tennessee, Knoxville)

     Field of Science: Physics

637. Freeprop

     James Sternberg (University of Tennessee, Knoxville)

     Field of Science: Physics

638. Optimization of the nuclear energy density functional

     Erno Kortelainen (University of Tennessee, Knoxville)

     Field of Science: Physics

639. Gain XT5 Experience

     Clare McCabe (Vanderbilt University)

     Field of Science: ----

640. Nuclear Structure Calculations for weakly bound nuclei

     George Papadimitriou (University of Tennessee, Knoxville)

     Field of Science: Physics

641. Structure-Function Studies on Nuclear Hormone Receptors

     Elias Fernandez (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

642. Molecular Dynamics Simulation of Electroporation

     Xiaopeng Zhao (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

643. Mass parameters for fissionig nuclei

     Andrzej Baran (University of Tennessee, Knoxville)

     Field of Science: Physics

644. Calculation of spontaneous fission process

     Andrzej Staszczak (University of Tennessee, Knoxville)

     Field of Science: Physics

645. Investigation of Performance Variability on Cray XT5

     Patrick Worley (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

646. Newton program

     Gerald Ragghianti (University of Tennessee, Knoxville)

     Field of Science: Advanced Scientific Computing

647. Coupled-Cluster theory for nuclei

     Gaute Hagen (Oak Ridge National Laboratory)

     Field of Science: Physics

648. Multi-scale Modeling in Proton Exchange Membrane

     Stephen Paddison (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

649. Coarse-grained Monte Carlo simulations

     Petr Plechac (University of Tennessee, Knoxville)

     Field of Science: Advanced Scientific Computing

650. Scalable Computational Methods for the Analysis of High-Throughput Biological Data

     Michael Langston (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

651. Multiscale modeling of dynamics of complex fluids

     Bamin Khomami (University of Tennessee, Knoxville)

     Field of Science: Materials Research

652. Energy Density Functional With Density Dependent Coupling Constants

     Mario Stoitsov (University of Tennessee, Knoxville)

     Field of Science: Physics

653. Fission Studies of Superheavy Nuclei

     Javid Sheikh (University of Tennessee, Knoxville)

     Field of Science: Physics

654. Nuclear Structure Calculations

     Junchen Pei (University of Tennessee, Knoxville)

     Field of Science: Physics

655. Artificial DNAs

     Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

     Field of Science: Cross-Disciplinary Activities

656. Nuclear Structure Theory

     Thomas Papenbrock (University of Tennessee, Knoxville)

     Field of Science: Materials Research

657. First-Principles Calculation on Impurity Diffusivities in Ferritic Iron

     Peter Liaw (University of Tennessee, Knoxville)

     Field of Science: Materials Research

658. Genetic Network Inference from Massive Genomic Datasets

     Yan Cui (University of Tennessee, Memphis)

     Field of Science: Molecular Biosciences

659. Benchmarking of PICMSS for CFD Simulation

     Kwai L. Wong (University of Tennessee, Knoxville)

     Field of Science: Mechanical and Structural Systems

660. Exploration of downscaling global climate and chemistry models

     Joshua Fu (University of Tennessee, Knoxville)

     Field of Science: Atmospheric Sciences

661. Gordon Bell project - dedicated run

     Thomas Schulthess (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

662. Molecular Dynamics simulations

     Jeremy Smith (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

663. Porting Tenasi benchmarking code

     Lafayette Taylor (University of Tennessee, Chattanooga)

     Field of Science: Advanced Scientific Computing

664. Multiscale Materials Modeling

     David Keffer (University of Tennessee, Knoxville)

     Field of Science: Materials Research

665. Computational Genomics

     Igor Jouline (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

666. Species discovery, and large taxon phylogenies

     Rodger Gwiazdowski (University of Massachusetts, Amherst)

     Field of Science: Environmental Biology

667. Quantum Effects in Vibrational Energy Relaxation of Cyanide Ion in Water

     Eitan Geva (University of Michigan)

     Field of Science: Chemistry

668. NAMD research

     James Phillips (University of Illinois at Urbana-Champaign)

     Field of Science: Computer and Computation Research

669. GPU computing with staggered quarks

     Steven Gottlieb (Indiana University)

     Field of Science: Physics

670. NAMD research

     James Phillips (University of Illinois at Urbana-Champaign)

     Field of Science: Computer and Computation Research

671. Rheology of high molecular weight polymers with non-linear architecture

     Gopinath Subramanian (University of Southern Mississippi)

     Field of Science: Materials Research

672. Porting Elliptical Solver to GPU

     John Helly ()

     Field of Science: Atmospheric Sciences

673. Draco runs

     Alexander Ryskin (University of Rochester)

     Field of Science: Physics

674. Computational investigation of plasma detachment from a magnetic nozzle

     Daniel Araya (Texas A&M University)

     Field of Science: Chemical, Thermal Systems

675. Heavy Ion Physics

     Kenneth Read (University of Tennessee, Knoxville)

     Field of Science: Physics

676. Isospin invariant density functional model for atomic nuclei

     Javid Sheikh (University of Tennessee, Knoxville)

     Field of Science: Physics

677. Weather and Climate Simulation

     Bruce Loftis (University of Colorado, Boulder)

     Field of Science: Atmospheric Sciences

678. Unified URANS LES Simulation of Wind Farm Flow Fields and Wind Turbine Loads

     Stefan Heinz (University of Wyoming)

     Field of Science: Mathematical Sciences

679. HMPP

     Yann MEVEL (CAPS entreprise)

     Field of Science: Computer and Computation Research

680. Development of an eddy-permitting ocean general circulation model

     Robert L. Jacob Jr. (Argonne National Laboratory)

     Field of Science: Ocean Sciences

681. Development of Software Components to Support Parallel Adaptive Multiscale Analysis of Biotissue Engineering

     Fabien Delalondre (Rensselaer Polytechnic Institute)

     Field of Science: Mathematical Sciences

682. EPSCoR Desktop to TeraGrid EcoSystem

     James von Oehsen (Clemson University)

     Field of Science: Environmental Biology

683. I/o optimizations

     Scott Klasky (Oak Ridge National Laboratory)

     Field of Science: Advanced Scientific Computing

684. Nimbios

     Lou Gross (University of Tennessee, Knoxville)

     Field of Science: Environmental Biology

685. Examining the effect of self guided langevin dynamics on the thermodynamic stability and kinetics of peptide folding

     Amber Carr (SUNY at Stony Brook)

     Field of Science: Chemistry

686. Prediction of weak magnetic exchange constant in Mn12(mda) complex using DFT+U.

     Shruba Gangopadhyay (University of Central Florida)

     Field of Science: Chemistry

687. Computational Science Modules & Education

     Angela Shiflet (Wofford College)

     Field of Science: Computer and Computation Research

688. Calculations of Atomic level stresses in disordered materilas

     Madhusudan Ojha (University of Tennessee, Knoxville)

     Field of Science: Physics

689. Simularions of the plasma-material interface

     Predrag Krstic (University of Tennessee, Knoxville)

     Field of Science: Physics

690. Exploratory Research and Education with Kraken

     Gregory Peterson (University of Tennessee, Knoxville)

     Field of Science: Cross-Disciplinary Activities

691. CS 594 Spring 2010

     Heike Jagode (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

692. High Performance Computing: tools and algorithms.

     Leopold Grinberg (Brown University)

     Field of Science: Mathematical Sciences

693. Space-time Loadings on Wind Turbine Blades driven by Atmospheric Boundary Layer Turbulence: Coupling LES and DES

     Michael Kinzel (Pennsylvania State University)

     Field of Science: Atmospheric Sciences

694. Verification of the Goldbach Conjecture

     Tomas Silva (University of Aveiro)

     Field of Science: Mathematical Sciences

695. ICMR summer school

     Francois Gygi (University of California-Davis)

     Field of Science: Molecular Biosciences

696. UTK Molecular Biophysics Class BCMB 420/560/610

     Roland Schulz (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

697. UT Course (Data Structures and Algorithm Analysis)

     David Banks (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

698. UT Course CS594

     Jack Dongarra (University of Tennessee, Knoxville)

     Field of Science: Cross-Disciplinary Activities

699. Modeling thunderstorms and tornados

     Robert Wilhelmson (University of Illinois at Urbana-Champaign)

     Field of Science: Atmospheric Sciences

700. Restructuring and Optimization of CMS Track Reconstruction Software for the Intel Xeon Phi

     Steve Lantz (Cornell University)

     Field of Science: Physics

701. Developing First Principles Monte Carlo Methods

     Neeraj Rai (Mississippi State University)

     Field of Science: Advanced Scientific Computing

702. Alternative Dark Matter Cosmological Simulations

     Manoj Kaplinghat (University of California-Irvine)

     Field of Science: Physics

703. Air Pollutant and Climate Modeling Project

     John Drake (University of Tennessee, Knoxville)

     Field of Science: Atmospheric Sciences

704. NUMA effects on numerical dense linear algebra library

     Bilel Hadri (King Abdullah University of Science and Technology)

     Field of Science: Mathematical Sciences

705. ACS Fellowship Investigating Carbon Nanotubes

     Christopher Von Bargen (University of Pennsylvania)

     Field of Science: Chemistry

706. Genetic diversity of Earths Microbiome

     Karen Lloyd (University of Tennessee, Knoxville)

     Field of Science: Biological and Critical Systems

707. Profiling Rosetta for Docking Studies for NextGen Drug Discovery

     Bhanu Rekepalli (other)

     Field of Science: Molecular Biosciences

708. Campus Champion for University of Notre Dame

     Tim Stitt (University of Notre Dame)

     Field of Science: Training

709. Accurate quantum mechanical studies of electron density distribution in molecules

     Anatoliy Volkov (Middle Tennessee State University)

     Field of Science: Chemistry

710. PhyR and Related Protein Dynamics

     Sean Crosson (University of Chicago)

     Field of Science: Molecular Biosciences

711. Computational methods and studies of protein exibility

     Jesus A. Izaguirre (University of Notre Dame)

     Field of Science: Molecular Biosciences

712. Adsorption Characteristics of Organic Molecules on Metal Surfaces

     Abdelkader Kara (University of Central Florida)

     Field of Science: Materials Research

713. High-Performance Computing Course Resources

     Selim Kalayci (East Tennessee State University)

     Field of Science: Training

714. Energy variational analysis of ions in water and channels: Field theory

     YunKyong Hyon (University of Nevada-Reno)

     Field of Science: Mathematical Sciences

715. Energy dissipation in Nanotubes and Nanowire resonators

     Jayathi Murthy (Purdue University)

     Field of Science: Chemical, Thermal Systems

716. Numerical Simulation of Bubble Dynamics Near Compliant Structures

     Timothy Colonius (California Institute of Technology)

     Field of Science: Chemical, Thermal Systems

717. High Efficiency Organic Photovoltaics Using Singlet Fission Carrier Multiplication

     Charles B. Musgrave (University of Colorado, Boulder)

     Field of Science: Chemistry

718. Campus Champion for Michigan State University

     Dirk Colbry (Michigan State University)

     Field of Science: Computer and Computation Research

719. Simulation of Deep Water Offshore Wind Turbines Including Motions in Waves

     Tao Xing (University of Idaho)

     Field of Science: Computer and Computation Research

720. Climate Change Impacts on Malaria

     Hugh Ellis (Johns Hopkins University)

     Field of Science: Atmospheric Sciences

721. Campus Champion for UNC Chapel Hill

     Ruth Marinshaw (Stanford University)

     Field of Science: Training

722. Molecular simulations of supercritical fluids

     Hai-Lung Tsai (Missouri University of Science and Technology)

     Field of Science: Chemical, Thermal Systems

723. The Formation of Active Regions on the Sun

     Matthias Rempel (National Center for Atmospheric Research)

     Field of Science: Astronomical Sciences

724. Campus Champions program for University of Illinois at Urbana-Champaign

     Michael Grady (University of Illinois at Urbana-Champaign)

     Field of Science: Training

725. Modeling Physical and Mechanical Systems: Simulation and Control

     Suchuan Dong (Purdue University)

     Field of Science: Chemical, Thermal Systems

726. A Study of PTPB Dynamics

     Tom Morrell (Princeton University)

     Field of Science: Chemistry

727. Molecular Dynamics and Docking study about Bio-molecules

     Zhiqiang Yan (SUNY at Stony Brook)

     Field of Science: Molecular Biosciences

728. Efficacy of Xeon PhiAccelerated System for Pawsey Centre Phase 2

     Rebecca Hartman-Baker (IVEC)

     Field of Science: Computer and Computation Research

729. performance of MPI and Openmp parallel computation on Xeon Phi

     Shaohao Chen (Louisiana State University)

     Field of Science: Computer and Computation Research

730. Improving alchemical methods for predicting protein-ligand binding

     David Mobley (University of California-Irvine)

     Field of Science: Chemistry

731. Protein folding using polarizable force fields

     James Gumbart (Georgia Institute of Technology)

     Field of Science: Molecular Biosciences

732. Development of Algorithms and Codes for Manycore Coprocessors with Astrophysical Applications

     Alan Calder (SUNY at Stony Brook)

     Field of Science: Astronomical Sciences

733. MassiveScale Waveform Detections of Earthquakes in Central California

     Xiaofeng Meng (Georgia Institute of Technology)

     Field of Science: Earth Sciences

734. Education use

     Walton Yantis (Texas State University)

     Field of Science: Information, Robotics, and Intelligent Systems

735. Investigation of the Effect of Interaction of Model Polypeptides with Titania On Their Conformation Using Molecular Dynamics Simulation

     Xiaoyu Wu (Purdue University)

     Field of Science: Molecular Biosciences

736. Tuning of Graphene Thermal and Electrical Properties by Dopant and Geometry

     Seungha Shin (University of Tennessee, Knoxville)

     Field of Science: Chemical, Thermal Systems

737. National EPSCoR CI Student Engagement

     James von Oehsen (Clemson University)

     Field of Science: Computer and Computation Research

738. Parallel Space Time Algorithms

     Benjamin Ong (Michigan Technological University)

     Field of Science: Mathematical Sciences

739. Campus Champion for University of Delaware

     Dean Nairn (University of Delaware)

     Field of Science: Training

740. Protein Structure Prediction and De Novo Protein Design in the Presence of Post Translational Modifications (PTMs)

     George Khoury (Princeton University)

     Field of Science: Molecular Biosciences

741. Surfactant Micelle Fusion

     Ronald G. Larson (University of Michigan)

     Field of Science: Chemistry

742. Scaling Parallel Programing Frameworks to Large Systems

     Andrew Lenharth (University of Texas at Austin)

     Field of Science: Advanced Scientific Computing

743. Structural dynamics of a heptahelical receptorG-protein signalosome complex

     Thomas Huber (Rockefeller University)

     Field of Science: Molecular Biosciences

744. 3D turbulent magnetic reconnection

     Haihong Che (NASA Goddard Space Flight Center)

     Field of Science: Physics

745. Develop and test models of the structure and the allosteric switching mechanism of RG13 (MBP-BLA) using computational modeling based on NMR constraints

     Myunggi Yi (Johns Hopkins University)

     Field of Science: Molecular Biosciences

746. Exploring the Chemical Landscape for Base Excision DNA Repair

     Ivaylo Ivanov (Georgia State University)

     Field of Science: Molecular Biosciences

747. Structural and Functional Characterization of Glu-Plasminogen and Lys-Plasminogen

     Hyung Joon Kim (Carnegie Mellon University)

     Field of Science: Molecular Biosciences

748. Simulations of Sequence-Specific DNA-Binding Proteins

     Arjan van der Vaart (University of South Florida)

     Field of Science: Molecular Biosciences

749. Allocation Request for CS478 (High Performance Computing)

     April Kontostathis (Ursinus College)

     Field of Science: Advanced Scientific Computing

750. Reactive Molecular Dynamics on GPU Clusters

     Ananth Grama (Purdue University)

     Field of Science: Computer and Computation Research

751. Impact of vertical coordinate on seasonal prediction of Atlantic tropical cyclone activity

     Vasubandhu Misra (Florida State University)

     Field of Science: Atmospheric Sciences

752. Fuel and Core Design Options to Overcome the Heavy Metal Loading Limit and Improve Performance and Safety of Liquid Salt Cooled Reactors

     Guillermo Maldonado (University of Tennessee, Knoxville)

     Field of Science: Industrial Science and Technological Innovation

753. First Principles Modeling of Cation H Li and Na Transport in Solid Polymer Electrolytes

     Stephen Paddison (University of Tennessee, Knoxville)

     Field of Science: Materials Research

754. Development and Porting of Image Algorithms to HPC

     Rob Kooper (University of Illinois at Urbana-Champaign)

     Field of Science: Computer and Computation Research

755. MICMUC

     Michael Bader (Technische Universitat Munchen)

     Field of Science: Computer and Computation Research

756. Campus Champion for Cornell University

     Susan Mehringer (Cornell University)

     Field of Science: Training

757. GPUaccelerated calculation of ligand binding affinities to biological macromolecules

     Michael Shirts (University of Colorado, Boulder)

     Field of Science: Chemistry

758. The problem of bias in defining uncertainty in computationally enabled strategies for data-driven climate model development

     Charles Jackson (University of Texas at Austin)

     Field of Science: Atmospheric Sciences

759. Keeneland Testing and Documentation

     Bruce Loftis (University of Colorado, Boulder)

     Field of Science: Cross-Disciplinary Activities

760. Simulation of Iodine Dynamics in Solid Krypton

     Jeffrey Cina (University of Oregon)

     Field of Science: Chemistry

761. High Fidelity Simulations of Turbulent Reacting Flows in Complex Geometries

     Edward Knudsen (Stanford University)

     Field of Science: Chemical, Thermal Systems

762. Direct numerical simulation of turbulence, particle-laden turbulence, and chemically reactive turbulent flow

     Lance Collins (Cornell University)

     Field of Science: Chemical, Thermal Systems

763. Numerical Simulation of Fluid Flow and Heat Transfer in Solar Chimneys

     Ehsan Shams (University of Arizona)

     Field of Science: Chemical, Thermal Systems

764. Fusogenic activity of influenza hemagglutinin peptides

     Peter Kasson (University of Virginia)

     Field of Science: Molecular Biosciences

765. Campus Champion University of Virginia startup allocation

     Thomas Hall (University of Virginia)

     Field of Science: Advanced Scientific Computing

766. Cosmic Re-Ionization

     Robert Harkness (University of California-San Diego)

     Field of Science: Astronomical Sciences

767. Kinetic Simulations of the Magnetosphere

     Homayoun Karimabadi (University of California-San Diego)

     Field of Science: Astronomical Sciences

768. Probing Three-body Coulomb Systems with Intense Attosecond XUV Pulses

     Suxing Hu (University of Rochester)

     Field of Science: Physics

769. Oxygen Pathways in KillerRed

     Marc Zimmer (Connecticut College)

     Field of Science: Molecular Biosciences

770. Numerical Investigation of the Turbulent Ekman Layer and Turbulent Couette Flow

     Sedat Biringen (University of Colorado)

     Field of Science: Chemical, Thermal Systems

771. NMSZ-Hazard: New Madrid Seismic Zone Ground Motion Simulations

     Leonardo Ramirez-Guzman (US Geological Survey)

     Field of Science: Earth Sciences

772. Petascale Simulation of Turbulent Mixing and Combustion in Stars

     Paul R. Woodward (University of Minnesota)

     Field of Science: Astronomical Sciences

773. Hadron Scattering from Lattice QCD

     Konstantinos Orginos (College of William and Mary)

     Field of Science: Physics

774. Interaction of Time-Dependent Electromagnetic Fields with Atoms, Molecules and Bose Condenstates

     Klaus Bartschat (Drake University)

     Field of Science: Physics

775. Development and Application of Advanced Molecular Dynamics Algorithms

     Ross Walker (University of California-San Diego)

     Field of Science: Molecular Biosciences

776. Sequencing DNA using a nanopore

     Aleksei Aksimentiev (University of Illinois at Urbana-Champaign)

     Field of Science: Molecular Biosciences

777. Adaptive Multiscale Simulations

     Kenneth Jansen (University of Colorado)

     Field of Science: Advanced Scientific Computing

778. Astrophysical and Cosmological Structure Formation

     Michael Norman (University of California, San Diego)

     Field of Science: Astronomical Sciences

779. Structure dependence of CH bond activation in methanol reactions on CeO2

     Ariana Beste (University of Tennessee, Knoxville)

     Field of Science: Chemistry

780. Gamow Shell Model and Reactions

     Yannen Jaganathen (University of Tennessee, Knoxville)

     Field of Science: Physics

781. Chemical Reactions and Transport in Condensed Phase Systems

     J Karl Johnson (University of Pittsburgh)

     Field of Science: Materials Research

782. Personalized article retrieval system for PubMed

     Cen Li (Middle Tennessee State University)

     Field of Science: Computer and Computation Research

783. Computational Diffusion MRI of Brain Tissue Microstructure and Structural Connectivity

     Ali Tabesh (Medical University of South Carolina)

     Field of Science: Advanced Scientific Computing

784. DNS Simulations of ReturntoIsotropy

     Blair Perot (University of Massachusetts, Amherst)

     Field of Science: Advanced Scientific Computing

785. MULTIPHYSICS SIMULATIONS OF TURBULENT SOOTING FLAMES ON HETEROGENEOUS ARCHITECTURES

     Ramanan Sankaran (Oak Ridge National Laboratory)

     Field of Science: Physics

786. First-Principles Calculations of the Role of PVP in the Controlled Synthesis of Colloidal Ag Nanostructures

     Kristen Fichthorn (Pennsylvania State University)

     Field of Science: Materials Research

787. Climate change downscaling using the WRF over southeast South America

     Lisa Goddard (Columbia University in the City of New York)

     Field of Science: Atmospheric Sciences

788. Benchmarking and performance evaluation of Linear Algebra based codes

     Prakashan Korambath (University of California, Los Angeles)

     Field of Science: Chemistry

789. Campus Champion for Ohio State University

     Karen Tomko (Ohio State University)

     Field of Science: Training

790. Campus Champion at Rice University

     Qiyou Jiang (Rice University)

     Field of Science: Computer and Computation Research

791. "Campus Champion for University of Tennessee"

     Christian Halloy (University of Tennessee, Knoxville)

     Field of Science: Educational

792. Qbox

     Francois Gygi (University of California-Davis)

     Field of Science: Advanced Scientific Computing

793. BEAGLE

     Daniel Ayres (University of Maryland, College Park)

     Field of Science: Molecular Biosciences

794. MantaVis

     Carson Brownlee (University of Utah)

     Field of Science: Computer and Computation Research

795. Computational Studies of Peptide-RNA Complexes: Hands-On Learning in a Senior-Level Biochemistry Course

     Maria Nagan (Truman State University)

     Field of Science: Molecular Biosciences

796. Asymptotic scaling of heat transport in infinite Prandtl number fluids at very high resolution

     Benson Muite (University of Tartu)

     Field of Science: Chemical, Thermal Systems

797. Toward Petascale Cosmology with GADGET

     Tiziana Di Matteo (Carnegie Mellon University)

     Field of Science: Astronomical Sciences

798. Climate Mitigation and Earth System Management from Local to Global Scale: Modeling Technology-Driven Futures

     Yang Zhang (North Carolina State University at Raleigh)

     Field of Science: Atmospheric Sciences

799. HyperFlow

     Claudio Silva (Polytechnic Institute of NYU)

     Field of Science: Computer and Computation Research

800. A Scalable Efficient and Accurate Community Ice Sheet Model

     Katherine Evans (University of Tennessee, Knoxville)

     Field of Science: Advanced Scientific Computing

801. Direct Numerical Simulations Using GeoDict and Tomography Based Microstructure of MaterialsFeasibility Study

     Dayakar Penumadu (University of Tennessee, Knoxville)

     Field of Science: Cross-Disciplinary Activities

802. CharmNAMD

     Laxmikant Kale (University of Illinois at Urbana-Champaign)

     Field of Science: Molecular Biosciences

803. Design Space Exploration of Biometrics on Intel Many Integrated Core Architecture

     Chen Liu (Clarkson University)

     Field of Science: Cross-Disciplinary Activities

804. Robotic linac adaptation configuration

     Dragos Constantin (Stanford University)

     Field of Science: Cross-Disciplinary Activities

805. Investigation of Conformational Changes of Antimicrobial Peptides Cecropin P1 C and Sheep Myeloid Peptide on Silica Nanoparticle Surface Using Molecular Dynamics Simulation

     Ganesan Narsimhan (Purdue University)

     Field of Science: Chemical, Thermal Systems

806. Training At NICS

     Vincent Betro (Baylor School Chattanooga)

     Field of Science: Computer and Computation Research

807. Computational studies of complex processes in biological macromolecular systems

     Benoit Roux (University of Chicago)

     Field of Science: Molecular Biosciences

808. Molecular mechanism of a homeodomain sliding along DNA

     Ignacia Echeverria (University of Maryland, College Park)

     Field of Science: Molecular Biosciences

809. Course on "Scientific Computing"

     Gabrielle Allen (University of Illinois at Urbana-Champaign)

     Field of Science: Educational

810. SmartTruck

     John Anastos (BMI Corporation)

     Field of Science: Design and Manufacturing Systems

811. Predictive electronic structure calculations on large molecular systems A pathway to linear scaling couple cluster method

     Jacek Jakowski (Oak Ridge National Laboratory)

     Field of Science: Advanced Scientific Computing

812. Fast solution for fractional advection-diffusion equations and its application to CO2 sequestration

     Hong Wang (University of South Carolina)

     Field of Science: Mathematical Sciences

813. yber-Enabled Design of Functional Nanomaterials

     Christopher Iacovella (Vanderbilt University)

     Field of Science: Computer and Computation Research

814. Large Data Visualization

     Kwan-Liu Ma (University of California, Davis)

     Field of Science: Computer and Computation Research

815. MUSE: Multiscale Unified Simulation Environment

     David Hall (National Center for Atmospheric Research (NCAR))

     Field of Science: Earth Sciences

816. Enabling Physics Research at the Information Frontier Using GPUs

     Karen Tomko (Ohio State University)

     Field of Science: Physics

817. Taming the scale explosion in nuclear structure calculations with GPUs

     Erik Saule (University of North Carolina, Charlotte)

     Field of Science: Cross-Disciplinary Activities

818. Cryptography with GPUs

     Richard Boyd (Georgia Tech Research Institute)

     Field of Science: Mathematical Sciences

819. Improved multi-GPU support in LAMMPS

     Axel Kohlmeyer (Temple University)

     Field of Science: Materials Research

820. Multi-GPU Fundamentals

     John Owens (University of California, Davis)

     Field of Science: Computer and Computation Research

821. EMRI waveforms computation accelerated by GPUs

     Gaurav Khanna (University of Massachusetts Dartmouth)

     Field of Science: Physics

822. Running coupling and anomalous dimension of SU(4) gauge theory with decuplet fermions

     Thomas DeGrand (University of Colorado)

     Field of Science: Physics

823. Ab Initio Computational Design of Interfaces And Nanostructures

     Ramamurthy Ramprasad (University of Connecticut)

     Field of Science: Materials Research

824. Campus Champion for Idaho State University

     Keith Weber (Idaho State University)

     Field of Science: Cross-Disciplinary Activities

825. Renewal Request of the 2-yr Award AST070022

     Kentaro Nagamine (University of Nevada-Las Vegas)

     Field of Science: Astronomical Sciences

826. Texas State University - Campus Champion

     Daniel Bylander (Texas State University)

     Field of Science: Training

827. HPC course and module development

     Angela Shiflet (Wofford College)

     Field of Science: Computer and Computation Research

828. TeraGrid Campus Champions expanding resources to handle multiple projects/champions

     Michael Bruck (University of Arizona)

     Field of Science: Chemistry

829. First-Principles Molecular Dynamics for Petascale Computers

     Francois Gygi (University of California-Davis)

     Field of Science: Advanced Scientific Computing

830. NCCS Staff

     Bobby Whitten (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

831. Campus Champion for University of Nebraska

     Ashu Guru (University of Nebraska at Lincoln)

     Field of Science: Training

832. Application development for the Biodiversity Modeling Service of Great Smoky Mountains National Park

     Jian Huang (University of Tennessee, Knoxville)

     Field of Science: Biological Instrumentation and Resources

833. LowPower HighPerformance Exploratory Simulation of Human Neurotransmitter Clearance using the Intel Xeon Phi Platform NeuroPhire

     Manfred Mucke (Sustainable Computing Research)

     Field of Science: Computer and Computation Research

834. New Programming Tools and Numerical Algorithms for Memory/Network-efficient Extreme-scale Parallel Applications

     Zhiyuan Li (Purdue University)

     Field of Science: Computer and Computation Research

835. Geometrical Property of Light Harvesting Molecules

     Hideya Koizumi (Arkansas State University)

     Field of Science: Chemistry

836. COSC 505

     Gregory Peterson (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

837. Campus Champion for the University of Nebraska

     Adam Caprez (University of Nebraska, Lincoln)

     Field of Science: Training

838. A Framework for Increased Performance and Energy for HPC Applications in Heterogeneous Systems

     Joshua Peraza (San Diego Supercomputer Center)

     Field of Science: Computer and Computation Research

839. Applications of variational fracture: thermal cracks, hydraulic stimulation and thin films

     Blaise Bourdin (Louisiana State University)

     Field of Science: Mathematical Sciences

840. Severe Weather Phenomena: Continued modeling studies of Winter Snowstorms and Severe Thunderstorms and Tornadoes

     Brian Jewett (University of Illinois at Urbana-Champaign)

     Field of Science: Atmospheric Sciences

841. Magneto-Rotational Turbulence and Dynamo Action

     Fausto Cattaneo (University of Chicago)

     Field of Science: Astronomical Sciences

842. Campus Champion for Yale University

     Andrew Sherman (Yale University)

     Field of Science: Training

843. Magnetic Reconnection

     Homayoun Karimabadi (University of California-San Diego)

     Field of Science: Physics

844. QMC simulations

     Jeongnim Kim (Oak Ridge National Laboratory)

     Field of Science: Physics

845. SPECFEM3D Finiteelement seismic wave simulations

     Gordon Erlebacher (Florida State University)

     Field of Science: Computer and Computation Research

846. evolution of circumstellar disks

     Alice Quillen (University of Rochester)

     Field of Science: Astronomical Sciences

847. Ghoniem Group

     Tamer Crosby (University of California, Los Angeles)

     Field of Science: Mechanical and Structural Systems

848. Sequoia Programming Language

     Michael Bauer (Stanford University)

     Field of Science: Advanced Scientific Computing

849. BEAGLE

     Marc Suchard (University of California, Los Angeles)

     Field of Science: Mathematical Sciences

850. Visual Analytics Tools for Data Analysis

     Joshua New (University of Tennessee, Knoxville)

     Field of Science: Mechanical and Structural Systems

851. Atomic Structures of Graphene Edges and Many-electron Effects in Graphene

     Li Yang (Washington University in St. Louis)

     Field of Science: Materials Research

852. Tsunami modeling of diferent source types along the Puerto Rico - Virgin Islands coastline

     Alberto Lopez (University of Puerto Rico, Mayaguez)

     Field of Science: Biological and Critical Systems

853. Simulating North Atlantic air-sea carbon fluxes with eddy-permitting ocean state estimates

     Daiwei Wang (Massachusetts Institute of Technology)

     Field of Science: Ocean Sciences

854. Multiscale Research on Nanotoxicity

     Jerzy Leszczynski (Jackson State University)

     Field of Science: Materials Research

855. Biomolecular Structure and Dynamics

     Carlos Simmerling (SUNY at Stony Brook)

     Field of Science: Chemistry

856. Computing Conformational Change in Biomolecular Systems

     Thomas Woolf (Johns Hopkins University)

     Field of Science: Molecular Biosciences

857. Campus Champion for the University of Oregon

     Sean Sharp (University of Oregon)

     Field of Science: Training

858. Quantum State-to-State Reaction Dynamics

     Aron Kuppermann (California Institute of Technology)

     Field of Science: Chemistry

859. First-principles studies of semiconductor and hydrogen storage materials

     Chris Van de Walle (University of California, Santa Barbara)

     Field of Science: Materials Research

860. Campus Champios program for University of Michigan

     Brock Palen (University of Michigan)

     Field of Science: Training

861. Topics in Computational Cosmology: From Population III Stars to Galaxy Clusters

     Brian OShea (Michigan State University)

     Field of Science: Astronomical Sciences

862. BioScience Algorithms on Next Generation Computing Resources

     Dylan Storey (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

863. First-principles modeling of graphene-based materials under electric field

     Jia-An Yan (Towson State University)

     Field of Science: Materials Research

864. High performance computational simulation in quantum chemistry and biophysics

     Edmond Chow (Georgia Institute of Technology)

     Field of Science: Advanced Scientific Computing

865. Flow Simulations for Predictive Analysis and Control of Wind Energy Systems

     Onkar Sahni (Rensselaer Polytechnic Institute)

     Field of Science: Chemical, Thermal Systems

866. Defect Transport at Complex Oxides Interfaces

     Haixuan Xu (University of Tennessee, Knoxville)

     Field of Science: Materials Research

867. Parallel Replica Exchange Molecular Simulations for the Study of Protein-Ligand Binding and Dynamics

     Ronald Levy (Rutgers, the State University of New Jersey)

     Field of Science: Molecular Biosciences

868. Dual−Laser Dissociation of Gas Mixture for Diamond Thin Film Deposition

     Hai-Lung Tsai (Missouri University of Science and Technology)

     Field of Science: Design and Manufacturing Systems

869. Dynamics of Two Component Signaling Systems

     Sean Crosson (University of Chicago)

     Field of Science: Molecular Biosciences

870. Characterizing the Formation History of the Milky Way

     Facundo Gomez (Michigan State University)

     Field of Science: Astronomical Sciences

871. Student Training: Asteroseismology of Exoplanet Host Stars

     Travis Metcalfe (Space Science Institute)

     Field of Science: Astronomical Sciences

872. Regression Framework Database

     Lonnie Crosby (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

873. GPU MapReduce for Volunteer Computing

     Feng Ji (North Carolina State University)

     Field of Science: Computer and Computation Research

874. DataCutter

     Umit V. Catalyurek (The Ohio State University)

     Field of Science: Computer and Computation Research

875. MFDnGPU

     Erik Saule (University of North Carolina, Charlotte)

     Field of Science: Physics

876. Simulations of protein folding and assembly on surfaces

     Joan-Emma Shea (University of California-Santa Barbara)

     Field of Science: Chemistry

877. Porting and Optimizing a subgrid scale cloud model on a GPU cluster

     John Dennis (National Center for Atmospheric Research)

     Field of Science: Atmospheric Sciences

878. Reactive molecular dynamics simulations of stress corrosion cracking and nanofluidics

     Aiichiro Nakano (University of Southern California)

     Field of Science: Materials Research

879. AMBER evaluation on GPUs Hemostatic peptides and P450 modeling

     Thomas Cheatham (University of Utah)

     Field of Science: Molecular Biosciences

880. HabaneroC Runtime System for Heterogeneous Cluster Computing

     Vivek Sarkar (Rice University)

     Field of Science: Computer and Computation Research

881. Molecular Dynamic Simulations of Hexokinase I and Fructose-1,6-bisphosphatase

     Richard Honzatko (Iowa State University)

     Field of Science: Molecular Biosciences

882. Multi-scale computational evaluation of wind loads on buildings

     Girma Bitsuamlak (Florida International University)

     Field of Science: Biological and Critical Systems

883. The GlobalNet Project

     Kalev Leetaru (University of Illinois at Urbana-Champaign)

     Field of Science: Humanities

884. Coupling of Turbulent Compressible Solar Convection with Rotation, Shear and Magnetic Fields

     Juri Toomre (University of Colorado)

     Field of Science: Astronomical Sciences

885. Modeling heliospheric phenomena with an MHD-kinetic code and observational boundary conditions

     Nikolai Pogorelov (University of Alabama, Huntsville)

     Field of Science: Atmospheric Sciences

886. First-Principle Simulations of Particle Acceleration in Magnetically-Dominated Jets: Code Scalability and 2D Results

     Lorenzo Sironi (Harvard University)

     Field of Science: Astronomical Sciences

887. the PLASMA project

     Jack Dongarra (University of Tennessee, Knoxville)

     Field of Science: Advanced Scientific Computing

888. VisIt large memory investigation

     Jamison Daniel (Oak Ridge National Laboratory)

     Field of Science: Physics

889. NA

     Jason Swails (University of Florida)

     Field of Science: Chemistry

890. Star Formation in the Galactic Center

     Kevin Olson (Drexel University)

     Field of Science: Astronomical Sciences

891. Simulations of bacterialspecific systems

     James Gumbart (Georgia Institute of Technology)

     Field of Science: Molecular Biosciences

892. Investigating the onset of plastic deformation in the presence of point defects in metals

     David Bahr (Washington State University)

     Field of Science: Materials Research

893. Exploritory Access

     Bobby Whitten (University of Tennessee, Knoxville)

     Field of Science: Advanced Scientific Computing

894. Particle-In-Cell modeling of laser-accelerated proton beams from hemisphere shell targets

     Bin Qiao (University of California-San Diego)

     Field of Science: Physics

895. First-Principles Calculations to Enable New Energy-Efficient Display Technologies Using Se-adsorbed Single Walled Carbon Nanotubes

     Carlos Marin (University of Puerto Rico System)

     Field of Science: Materials Research

896. Spin Liquids and Valence Bond Crystals on the Kagome Lattice

     Jesse Kinder (Case Western Reserve University)

     Field of Science: Materials Research

897. CorningMaterialsScience

     Leslie Button (Corning Incorporated)

     Field of Science: Materials Research

898. CorningMaterialsScience

     Leslie Button (Corning Incorporated)

     Field of Science: Materials Research

899. CorningMaterialsScience

     Leslie Button (Corning Incorporated)

     Field of Science: Materials Research

900. CorningMaterialsScience

     Leslie Button (Corning Incorporated)

     Field of Science: Materials Research

901. FirstPrinciples Calculation on Impurity Diffusivities in Ferritic Iron

     Peter Liaw (University of Tennessee, Knoxville)

     Field of Science: Materials Research

902. Climate Change Impact on Water Quality and Quantity and Infrastructure in the Tennessee Watershed

     Randy Gentry (University of Tennessee, Knoxville)

     Field of Science: Earth Sciences

903. porting and testing of DFTB dynamics to GPU

     Jacek Jakowski (Oak Ridge National Laboratory)

     Field of Science: Materials Research

904. Parametric studies of SPH on the GPU

     Ian Johnson (Florida State University)

     Field of Science: Computer and Computation Research

905. A Petaflop Cyberinfrastructure for Computing Free Energy Landscapes of Macro and Biomolecular Systems

     Clare McCabe (Vanderbilt University)

     Field of Science: Chemistry

906. PyLith Low Order FEM on GPUs

     Matthew Knepley (University of Chicago)

     Field of Science: Earth Sciences

907. Molecular Dynamic simulations of proteinbased organelles implications for biofuels production

     Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

908. Lattice BGK simulations

     Steven Orszag (Yale University)

     Field of Science: Advanced Scientific Computing

909. Optical Properties of Noble Metal Nanoparticles

     Christine Aikens (Kansas State University)

     Field of Science: Chemistry

910. testing parallel file systems

     Paul Buerger (Avetec)

     Field of Science: Advanced Scientific Computing

911. Medical Image Analysis

     Mihran Tuceryan (Indiana University-Purdue University, Indianapolis)

     Field of Science: Advanced Scientific Computing

912. Campus Champions program for Earlham College

     Charles Peck (Earlham College)

     Field of Science: Cross-Disciplinary Activities

913. Porting of ADCIRC Storm Surge Code to the Xeon Phi Architecture

     Tim Stitt (University of Notre Dame)

     Field of Science: Ocean Sciences

914. Insitu analysis and visualization

     Norbert Podhorszki (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

915. Air quality impacts from southeast biomass burning

     Yun-Fat Lam (University of Tennessee, Knoxville)

     Field of Science: Atmospheric Sciences

916. Compression on GPUs

     Adnan Ozsoy (Indiana University - Bloomington)

     Field of Science: Computer and Computation Research

917. Quantification and Visualization of Weather Ensemble Simulations

     Song Zhang (Mississippi State University)

     Field of Science: Computer and Computation Research

918. First principles studies for pyrite (FeS2) as photovoltaic materials

     Ruqian Wu (University of California-Irvine)

     Field of Science: Chemistry

919. Blue Waters Undergraduate Petascale Education Program

     Robert Panoff (Shodor Education Foundation, Inc.)

     Field of Science: Advanced Scientific Computing

920. Variational Multiscale Methods for NonNewtonian Viscoelastic Blood Flow Simulations in Patient Specific Models

     Arif Masud (University of Illinois at Urbana-Champaign)

     Field of Science: Integrative Biology and Neuroscience

921. SARA

     Robert Glenn Brook (University of Tennessee, Knoxville)

     Field of Science: Ocean Sciences

922. Rupture History and Landslide Distribution of the 2008 Wenchuan, China, Earthquake

     Stephen Hartzell (US Geological Survey)

     Field of Science: Earth Sciences

923. Metrics for High Performance Computing Applications and Platforms: Performance and Reliability

     Matthew D. Jones (SUNY at Buffalo)

     Field of Science: Computer and Computation Research

924. High Performance Computational Fluid Dynamics with GPU

     George Karniadakis (Brown University)

     Field of Science: Advanced Scientific Computing

925. Campus Champion for Rochester Institute of Technology

     Ralph Bean (Rochester Institute of Technology)

     Field of Science: Training

926. Campus Champion UT Southwestern

     Ed Ames (University of Texas Southwestern Medical Center)

     Field of Science: Training

927. Comparison of molecular dynamics simulations of dihydrofolate reductase bound to propargyl-linked antifolates leads to an understanding of the flexibility of active site loop residues critical for ligand potency and selectivity

     Amy Anderson (University of Connecticut)

     Field of Science: Molecular Biosciences

928. Large-scale simulation of water-oxide interaction

     Hai-Ping Cheng (University of Florida)

     Field of Science: Materials Research

929. Numerical simulations of MHD wave propagation for local helioseismology

     Ashley Crouch (NorthWest Research Associates)

     Field of Science: Atmospheric Sciences

930. Radiative MHD Simulations of Solar Dynamics

     Alexander Kosovichev (New Jersey Institute of Technology)

     Field of Science: Atmospheric Sciences

931. Collaborative Imaging: Supercomputing and the Arts

     Evan Meaney (University of Tennessee, Knoxville)

     Field of Science: Arts

932. SMART

     Xiaolin (Andy) Li (University of Florida)

     Field of Science: Computer and Computation Research

933. Nuclear Physics from Lattice QCD

     Andrei Alexandru (George Washington University)

     Field of Science: Physics

934. Graph Algorithms on GPUs

     Alex Pothen (Purdue University )

     Field of Science: Computer and Computation Research

935. NCCS staff

     Douglas Fuller (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

936. Agent based modeling of bone mechanotransduction

     Sundar Srinivasan (University of Washington)

     Field of Science: Molecular Biosciences

937. Engineering inhibitors of the Tissue Factor-Factor VIIa complex

     Brendan Duggan (Medical University of South Carolina)

     Field of Science: Molecular Biosciences

938. Slip History and Landslide Distribution of the 2008 Wenchuan, China, Earthquake

     Stephen Hartzell (US Geological Survey)

     Field of Science: Earth Sciences

939. Disentangling the Gaseous Content of Galaxies using Simulations

     James Bullock (University of California-Irvine)

     Field of Science: Astronomical Sciences

940. Petascale Algorithms for Particulate Flows

     George Biros (University of Texas at Austin)

     Field of Science: Mathematical Sciences

941. Pathways of conformational transitions crucial for signaling, enzyme catalysis and protein/protein interactions.

     Dorothee Kern (Brandeis University)

     Field of Science: Molecular Biosciences

942. Direct numerical and large-eddy simulation of complex turbulent flows

     Krishnan Mahesh (University of Minnesota)

     Field of Science: Chemical, Thermal Systems

943. Tracking the flow of electrons using computational and spectroscopic tools

     Patrick El-Khoury (Pacific Northwest National Laboratory)

     Field of Science: Physics

944. Campus Champion for Texas Southern University: High Performace Computing & Storage Utilization for Research in Science, Technology and Medicine

     M. Farrukh Khan (Texas Southern University)

     Field of Science: Computer and Computation Research

945. Role of Anatomy on Spontaneous and Resonant Drift in the Human Atrium A High throughput Computational Study

     Sanjay Kharche (University of Exeter)

     Field of Science: Cross-Disciplinary Activities

946. ManyTask Computing with ManyCore Accelerators on Beacon

     Ioan Raicu (Illinois Institute of Technology)

     Field of Science: Computer and Computation Research

947. Parallel Simulation of Power System Planning Models using PLEXOS

     Dao Zhou (University of Tennessee, Knoxville)

     Field of Science: Electrical and Communication Systems

948. Molecular dynamics of rod-coil block copolymers

     Bradley Olsen (Massachusetts Institute of Technology)

     Field of Science: Materials Research

949. Unsteady Thermal Wake Migration in High Pressure Turbines

     Gustavo Ledezma (GE Globlal Reserach)

     Field of Science: Mechanical and Structural Systems

950. Ab initio and classical simulation of dissolution of minerals

     Stepan Hlushak (Vanderbilt University)

     Field of Science: Chemistry

951. Molecular Dynamics Simulations of the Transmembrane Proteins in lipid Membranes

     Matthias Buck (Case Western Reserve University)

     Field of Science: Molecular Biosciences

952. Careful treatment of polarizability to study ionic solutes at water interface and replica exchange-statistical temperature MD to investigate complex biomolecular transformations

     Gungor Ozer (Boston University)

     Field of Science: Chemistry

953. Exploratory Access

     Bobby Whitten (University of Tennessee, Knoxville)

     Field of Science: Advanced Scientific Computing

954. CrossLayer ApplicationAware PowerEnergy Management on Systems with Deep Memory Hierarchies and Accelerators

     Ivan Rodero (Rutgers University)

     Field of Science: Computer and Computation Research

955. Evaluation OF PGAS Programming Paradigms on LargeScale Parallel Applications

     Wendell Scruggs (Intel Corporation)

     Field of Science: Advanced Scientific Computing

956. ORNL using Beacon

     Bronson Messer (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

957. Semiflexible ProteinDNA Docking on GPU Platforms

     Bo Hong (Georgia Institute of Technology)

     Field of Science: Biological and Critical Systems

958. Campus Champion for Great Plains Network

     Kate Adams (Great Plains Network)

     Field of Science: Training

959. Massive Black Hole Dynamics and Accretion During Galaxy Mergers

     Marta Volonteri (University of Michigan)

     Field of Science: Astronomical Sciences

960. Campus Champion for University of Alaska Fairbanks

     Gregory B Newby (other)

     Field of Science: Polar Programs

961. Simulations of quantum solids

     Robert Hinde (University of Tennessee, Knoxville)

     Field of Science: Chemistry

962. Turbulence simulations on GPUs

     Pui-kuen Yeung (Georgia Institute of Technology)

     Field of Science: Chemical, Thermal Systems

963. Georgia Tech NSF ABI ONR HUNT

     Tucker Balch (Georgia Institute of Technology)

     Field of Science: Behavioral and Neural Sciences

964. Stochastic Modeling and SImulation

     Roger Ghanem (University of Southern California)

     Field of Science: Advanced Scientific Computing

965. GPU Signal Processing

     Daniel Campbell (Georgia Tech Research Institute)

     Field of Science: Cross-Disciplinary Activities

966. Nbody Simulations of Star Clusters

     Aaron Geller (Northwestern University)

     Field of Science: Astronomical Sciences

967. ALA

     Neil Gershenfeld (MIT)

     Field of Science: Computer and Computation Research

968. Peptide-protein interactions for designing fluorescence imaging probes

     Gang Bao (Georgia Institute of Technology)

     Field of Science: Molecular Biosciences

969. Campus Champion for University of Pennsylvania, School of Engineering and Applied Science

     Sansern Somboonsong (University of Pennsylvania)

     Field of Science: Training

970. High Throughtput Modeling of Nucleosome Stability

     Thomas Bishop (Louisiana Tech University)

     Field of Science: Molecular Biosciences

971. Campus Champion for Temple University, College of Science and Technology

     Axel Kohlmeyer (Temple University)

     Field of Science: Training

972. Campus Champion for The University of Wisconsin - Eau Claire

     Daniel Ernst (University of Wisconsin-Eau Claire)

     Field of Science: Computer and Computation Research

973. Reconfiguring Steel Structures on TeraGrid. Energy Dissipation and Buckling Mitigation Through the Use of Steel Foams

     Stefan Szyniszewski (Johns Hopkins University)

     Field of Science: Mechanical and Structural Systems

974. PULSAR

     Jakub Kurzak (University of Tennessee, Knoxville)

     Field of Science: Computer and Computation Research

975. Klonos A similaritybased tool for porting large scale applications

     Oscar Hernandez (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

976. Parallel hybrid sequence assembly algorithms

     Hamid Reza Chitsaz (Wayne State University)

     Field of Science: Advanced Scientific Computing

977. Long time-scale simulations of the potassium channel KcsA in a spontaneous detergent micelle

     Eduardo Perozo (University of Chicago)

     Field of Science: Molecular Biosciences

978. Investigating Scale-Out Performance of Loosely-Coupled Simulations Using Multiple Distributed Resources on the TeraGrid. Understanding the Energetics and Conformational Configurations of Nucleic Acids

     Shantenu Jha (Rutgers, the State University of New Jersey)

     Field of Science: Molecular Biosciences

979. Computational discovery of molecular mechanisms of cell-shape remodeling and intracellular organization

     Jen Hsin (Stanford University)

     Field of Science: Molecular Biosciences

980. Campus Champion for University of Arkansas

     Jeff Pummill (University of Arkansas)

     Field of Science: Training

981. Full Human Body Finite Element Modeling and Blunt Impact Simulation

     Joel Stitzel (Wake Forest University)

     Field of Science: Mechanical and Structural Systems

982. Large scale simulations of multiple scattering of waves in random media and rough surfaces

     Leung Tsang (University of Michigan)

     Field of Science: Earth Sciences

983. GROMACS Hybrid Molecular Dynamics

     Roland Schulz (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

984. HPGEOC

     Yifeng Cui (University of California, San Diego)

     Field of Science: Earth Sciences

985. Echelon

     Jeffrey Vetter (Oak Ridge National Laboratory)

     Field of Science: Computer and Computation Research

986. ComputerAided NanoDesignNanoEngineeringNanoManufacturing

     Yan Wang (Georgia Institute of Technology)

     Field of Science: Design and Manufacturing Systems

987. Automatic Performance Tuning of GPU Code

     Mary Hall (University of Utah)

     Field of Science: Computer and Computation Research

988. Campus Champion for University of Maryland Baltimore County

     Aaron Knister (University of Maryland, Baltimore County)

     Field of Science: Training

989. An Integrated Theoretical and Solid-State NMR Investigation of the Hypothesized DsbB Thiolate-Ubiquinone Charge Transfer Complex and New Methods to Expedite NMR Structure Calculations

     Chad Rienstra (University of Illinois at Urbana-Champaign)

     Field of Science: Molecular Biosciences

990. Estimating and Interpreting Natural Selection on Synonymous Codon Usage Across a Genome

     Michael Gilchrist (University of Tennessee, Knoxville)

     Field of Science: Molecular Biosciences

991. Data-intensive Protein Bioinformatics on the TeraGrid

     Ananth Kalyanaraman (Washington State University)

     Field of Science: Advanced Scientific Computing

992. Statistical Analysis via Filtering for Ultra-High Frequency Data

     Yong Zeng (University of Missouri, Kansas City)

     Field of Science: Mathematical Sciences

993. Campus Champion for the University of Montana

     John Lucotch (University of Montana)

     Field of Science: Training

994. Simulations of Molecular Clouds and Protoplanetary Disks

     Mordecai-Mark Mac Low (American Museum of Natural History)

     Field of Science: Astronomical Sciences

995. Collisionless Dissipative Processes in the Magnetotail and at the Magnetopause Boundary

     Philip Pritchett (University of California-Los Angeles)

     Field of Science: Atmospheric Sciences

996. Computational Studies of Cosmological Structure on the Largest Scales: Galaxy Clusters and Filaments

     Eric Hallman (University of Colorado)

     Field of Science: Astronomical Sciences

997. Computational approach to complex and diverse biological systems

     Guillermina Estiu (University of Notre Dame)

     Field of Science: Chemistry

998. Campus Champions-Clemson University

     James von Oehsen (Clemson University)

     Field of Science: Mathematical Sciences

999. Campus Champions program for Auburn University Montgomery

     Luis Cueva-Parra (Auburn University at Montgomery)

     Field of Science: Chemical, Thermal Systems

1000. Unleashing CHIMERA: Multidimensional Supernova Simulations

      Bronson Messer (University of Tennessee, Knoxville)

      Field of Science: Astronomical Sciences

1001. Theoretical studies of biological systems

      Alexander D. MacKerell, Jr. (University of Maryland, Baltimore County)

      Field of Science: Molecular Biosciences

1002. University of Iowa - Campus Champion

      Ben Rogers (University of Iowa)

      Field of Science: Training

1003. Combinatorial Algorithms for Hierarchical Massively Parallel Architectures

      Mahantesh Halappanavar (Pacific Northwest National Laboratory)

      Field of Science: Mathematical Sciences

1004. Flare Simulations

      Philip Smith (CRSim Inc)

      Field of Science: Chemical, Thermal Systems

1005. Tumor Suppressor Protein, PTEN, Alters Lipid Membrane Structure: Evidence from Molecular Simulation and Experiment

      Hirsh Nanda (Carnegie Mellon University)

      Field of Science: Molecular Biosciences

1006. Campus Champion for University of Utah

      Julia Harrison (University of Utah)

      Field of Science: Training

1007. Molecular Modeling of Novel DNA and Peptide Secondary Structures Formed by Hybridization with Carbon Nanotubes

      Anand Jagota (Lehigh University)

      Field of Science: Molecular Biosciences

1008. Highly parallelized implementations of robust statistical procedures using CUDA

      Ewald Moser (University of Pennsylvania)

      Field of Science: Advanced Scientific Computing

1009. EOTMorehouse

      Kwai L. Wong (University of Tennessee, Knoxville)

      Field of Science: Educational

1010. Storage System

      Bobby Whitten (University of Tennessee, Knoxville)

      Field of Science: Computer and Computation Research

1011. Video from a Single Exposure Coded Image

      Jinwei Gu (Rochester Institute of Technology)

      Field of Science: Information, Robotics, and Intelligent Systems

1012. Phase Field Simulations of Domain Microstructure Evolution

      Yu Wang (Michigan Technological University)

      Field of Science: Materials Research

1013. Campus Champion for Arizona State University

      Gil Speyer (Arizona State University)

      Field of Science: Training

1014. Multiscale Modeling of the Coupling between Langmuir Turbulence and Submesoscale Variability in the Oceanic Mixed Layer

      Baylor Fox-Kemper (Brown University)

      Field of Science: Ocean Sciences

1015. MOLECULAR SIMULATION STUDY OF THE HU210-CB1-Galphai1 COMPLEX: MOLECULAR MECHANISM OF GPCR ACTIVATION

      Joong-Youn Shim (North Carolina Central University)

      Field of Science: Molecular Biosciences

1016. Large scale MD simulations of anesthetic effects on ion channels

      Pei Tang (University of Pittsburgh School of Medicine)

      Field of Science: Molecular Biosciences

1017. Molecular Dynamics Simulations of Crystallization in Astrophysical Plasmas

      Charles J. Horowitz (Indiana University)

      Field of Science: Astronomical Sciences

1018. Systematics of Nuclear Surface Vibrations in Deformed Nuclei

      Jonathan Engel (University of North Carolina, Chapel Hill)

      Field of Science: Physics

1019. Simulating Cosmic Reionization and Large-Scale Structure: 3D Radiative Transfer and Gravitational N-body Dynamics

      Paul Shapiro (University of Texas at Austin)

      Field of Science: Astronomical Sciences

1020. SDCI HPC: Improvement and Release of the Uintah Computational

      Martin Berzins (University of Utah)

      Field of Science: Advanced Scientific Computing

1021. Theoretical condensed-matter physics

      Marvin L. Cohen (University of California-Berkeley)

      Field of Science: Materials Research

1022. Simulation of Quantum Systems

      David Ceperley (University of Illinois at Urbana-Champaign)

      Field of Science: Materials Research

1023. Monte Carlo ensemble generation and correlation matrix element computations for hadronic physics on anisotropic lattices

      Colin Morningstar (Carnegie Mellon University)

      Field of Science: Physics

1024. All-atom molecular dynamics simulations of small protein folding

      Yong Duan (University of California-Davis)

      Field of Science: Molecular Biosciences

1025. Simulations of Binary Black Hole Systems

      Pablo Laguna (Georgia Institute of Technology)

      Field of Science: Physics

1026. Drugome Platform

      Justin Boyd (Chattanooga Research Institute)

      Field of Science: Molecular Biosciences

1027. Lattice Gauge Calculation of Hadronic Physics

      Keh-Fei Liu (University of Kentucky)

      Field of Science: Physics

1028. Porting of Autodock Vina and associated execution framework VinaMPI to the Intel Xeon Phi coprocessor

      Sally Ellingson (University of Kentucky)

      Field of Science: Molecular Biosciences

1029. Autotune - Parametric Simulation Tuning and Data Mining

      Joshua New (University of Tennessee, Knoxville)

      Field of Science: Information, Robotics, and Intelligent Systems

1030. Improved Isosurfacing

      Timothy Newman (University of Alabama, Huntsville)

      Field of Science: Advanced Scientific Computing

1031. Modeling ship propellers

      Chryssostomos Chryssostomidis (Massachusetts Institute of Technology)

      Field of Science: Mathematical Sciences

1032. An integrated theoretical and experimental study for optimization and design of extracting agents for separations of lanthanides

      Robert Harrison (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1033. Multi-scale modeling of Sarcoplasmic Reticulum Ca2+ ATPase function

      Peter Kekenes-Huskey (University of Kentucky)

      Field of Science: Molecular Biosciences

1034. A Database of Modular Forms

      William Stein (University of Washington)

      Field of Science: Mathematical Sciences

1035. Molecular Dynamics Simulations of Lipid Membranes Containing Cyclopropane Fatty Acids

      Andrew Thomas (Morningside College)

      Field of Science: Molecular Biosciences

1036. Peter Kollman Graduate Award in Supercomputing

      Eleonora Gianti (University of the Sciences, Philadelphia)

      Field of Science: Computer and Computation Research

1037. Advanced Computational Science for High School Students

      Keith Jackson (Oak Ridge High School)

      Field of Science: Computer and Computation Research

1038. The LHC Look-Alike Project on the Teragrid: Understanding LHC Discoveries

      Maria Spiropulu (California Institute of Technology)

      Field of Science: Physics

1039. Probing TeV Physics through Neutron-Decay Matrix Elements

      Huey-Wen Lin (University of Washington)

      Field of Science: Physics

1040. Small-Scale Structures and Extended Self-Similarity in MHD Turbulence

      Joanne Mason (University of Exeter)

      Field of Science: Physics

1041. Molecular Dynamic Simulations of Hexokinase I and Fructose-1,6-bisphosphatase

      Richard Honzatko (Iowa State University)

      Field of Science: Molecular Biosciences

1042. Simulations of biomolecular systems and development of protein structure refinement methodology

      Michael Feig (Michigan State University)

      Field of Science: Molecular Biosciences

1043. MD Simulations of Mechanical Regulation of Biomolecular Interactions

      Cheng Zhu (Georgia Institute of Technology)

      Field of Science: Molecular Biosciences

1044. Large-Scale Monte-Carlo Simulations of Models for Transition Metal Oxides and Pnictides

      Elbio Dagotto (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1045. MULTI-SCALING AND ISOTROPY IN ROTATING TURBULENCE

      Annick Pouquet (University of Colorado, Boulder)

      Field of Science: Physics

1046. Computational Mutagenesis Studies for Cancer Related Biomolecules

      Tai-Sung Lee (Rutgers, the State University of New Jersey)

      Field of Science: Molecular Biosciences

1047. Large-scale molecular dynamics and Brownian dynamics investigation of ion permeation through the ligand-gated ion channel

      Mary Cheng (University of Pittsburgh)

      Field of Science: Molecular Biosciences

1048. Numerical Linked-Cluster Algorithms for Frustrated and Inhomogeneous Quantum-Mechanical Systems

      Ehsan Khatami (San Jose State University)

      Field of Science: Materials Research

1049. N-body simulations: Planets to Cosmology

      Thomas Quinn (University of Washington)

      Field of Science: Astronomical Sciences

1050. Modeling Studies of Nano and Biomolecular Systems

      Adrian Roitberg (University of Florida)

      Field of Science: Molecular Biosciences

1051. Simulations of Biomolecular Structure and Dynamics

      Carlos Simmerling (SUNY at Stony Brook)

      Field of Science: Molecular Biosciences

1052. Molecular dynamics simulation of plastic deformation in bcc metals

      Yizhe Tang (University of California-San Diego)

      Field of Science: Mechanical and Structural Systems

1053. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1054. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1055. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1056. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1057. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1058. Modeling Global Climate Variability with the Multi-scale Modeling Framework.

      John Helly (University of California, San Diego)

      Field of Science: Atmospheric Sciences

1059. Gyrokinetic Turbulence Simulations in RFP Geometries

      Moritz Pueschel (University of Wisconsin-Madison)

      Field of Science: Physics

1060. Mechanistic action of amyloid beta 1-42 monomers and dimers on NMDA receptors

      H. Eugene Stanley (Boston University)

      Field of Science: Molecular Biosciences

1061. Optimization of Separations of Rare Earths and Selective Extraction of Uranium from Seawater

      Deborah Penchoff (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1062. Effects of liquid crystal phase on charge carrier mobility

      Rebecca Callahan (University of Colorado)

      Field of Science: Chemistry

1063. Understanding the Genetics of Fear

      Alex Wiltschko (Harvard University)

      Field of Science: Integrative Biology and Neuroscience

1064. Chemical Tools for Epigenetic Readers

      Olaf Wiest (University of Notre Dame)

      Field of Science: Molecular Biosciences

1065. Improved Metagenomic Analysis with Confidence Quantification for Biosurveillance of Novel and Manmade Threats

      Chongle Pan (Oak Ridge National Laboratory)

      Field of Science: Environmental Biology

1066. Large-scale atomistic simulations of materials

      Ivan Oleynik (University of South Florida)

      Field of Science: Materials Research

1067. Experimental Measurements of Stresses and Strains of Granular Materials Using 3D NonDestructive Technologies

      Khalid Alshibli (University of Tennessee, Knoxville)

      Field of Science: Earth Sciences

1068. Trading Volume in General Equilibrium with Complete Markets

      Eric Aldrich (Duke University)

      Field of Science: Social and Economic Science

1069. Lattice QCD for Heterogeneous Computing with QUDA and the Chroma and MILC application suites

      Balint Joo (Jefferson Laboratory)

      Field of Science: Physics

1070. Advanced electronic structure methods for hardware accelerators and their application to solar fuel cells

      Thomas Hughes (Columbia University)

      Field of Science: Chemistry

1071. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1072. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1073. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1074. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1075. SmartTruck

      John Anastos (BMI Corporation)

      Field of Science: Design and Manufacturing Systems

1076. Ab-initio Simulations of Materials Properties

      John D. Joannopoulos (Massachusetts Institute of Technology)

      Field of Science: Materials Research

1077. Campus Champions program for Binghamton University

      James Wolf (SUNY at Binghamton)

      Field of Science: Training

1078. Atomistic Simulations of Heat Transfer in Carbon Nanostructures and Laser Material Interactions

      Leonid Zhigilei (University of Virginia)

      Field of Science: Materials Research

1079. Simulated Mutagenesis of VHH domain in explicit Solvent: Use of Generalized Hamiltonian Replica Exchange and Free-energy methods to determine free-energy landscape for the mutated hypervariable H1 loop

      Matthew DeLisa (Cornell University)

      Field of Science: Molecular Biosciences

1080. Resolving the Solution Structure of Photosystem I

      Paul Frymier (University of Tennessee, Knoxville)

      Field of Science: Molecular Biosciences

1081. HPC Modification of DNA Sequence Bioinformatics Pipelines for Geomicrobiology and Environmental Microbiology

      Annette Engel (University of Tennessee, Knoxville)

      Field of Science: Environmental Biology

1082. Computational electrodynamics of plasmonic and thermoplasmonic systems

      Ali Passian (University of Tennessee, Knoxville)

      Field of Science: Physics

1083. Atomistic and Coarse-Grained Modeling of Biomolecular Systems

      Ravi Radhakrishnan (University of Pennsylvania)

      Field of Science: Molecular Biosciences

1084. Radiation Transport Calculations for Facility for Rare Isotope Beams

      Mikhail Kostin (Michigan State University)

      Field of Science: Physics

1085. SOLVCON: A Supercomputing Software Framework for High-Fidelity Solutions of Hyperbolic PDEs and Conservation Laws

      Sheng-Tao Yu (Ohio State University)

      Field of Science: Mechanical and Structural Systems

1086. Testing Universality in Block Copolymers

      Jens Glaser (University of Minnesota)

      Field of Science: Physics

1087. Simulating the Co-Evolution of Galaxies and their Environment in Galaxy Groups

      Marie Machacek (Smithsonian Astrophysical Observatory)

      Field of Science: Astronomical Sciences

1088. Large-Scale Structure Formation within the Flavor-Mixed (Evaporating) Dark Matter Paradigm

      Mikhail Medvedev (University of Kansas)

      Field of Science: Astronomical Sciences

1089. Structural dynamics of glutamate receptors

      Albert Lau (Johns Hopkins University)

      Field of Science: Molecular Biosciences

1090. Mapping Protein Surfaces for Druggable Hot Spots: Mixed-Solvent Molecular Dynamics (MixMD)

      Heather Carlson (University of Michigan)

      Field of Science: Molecular Biosciences

1091. Assessing perturbations of a lipid bilayer with Molecular Dynamics simulations

      Gerald Feigenson (Cornell University)

      Field of Science: Molecular Biosciences

1092. Bioinformatics at Brown University

      Mark Howison (Brown University)

      Field of Science: Molecular Biosciences

1093. Flow in partially-vegetated compound open-channel

      Thorsten Stoesser (Georgia Institute of Technology)

      Field of Science: Chemical, Thermal Systems

1094. Campus Champion for University of California, Los Angeles

      Tajendra Vir Singh (University of California-Los Angeles)

      Field of Science: Training

1095. Energetics of Membrane Protein Folding

      Karen Fleming (Johns Hopkins University)

      Field of Science: Molecular Biosciences

1096. Campus Champion for Case Western Reserve University

      Hadrian Djohari (Case Western Reserve University)

      Field of Science: Training

1097. Turbulence and Dynamics of Stars

      Casey Meakin (Los Alamos National Laboratory)

      Field of Science: Astronomical Sciences

1098. Atomic detail studies of protein-carbohydrate interactions

      Olgun Guvench (University of New England)

      Field of Science: Molecular Biosciences

1099. climate change impact

      Joshua Fu (University of Tennessee, Knoxville)

      Field of Science: Atmospheric Sciences

1100. Molecular dynamics simulations of the fusion protein complex

      Maria Bykhovskaia (Wayne State University)

      Field of Science: Integrative Biology and Neuroscience

1101. Study of activation and inactivation processes of G protein-coupled receptors, based on rhodopsin and beta2 adrenergic receptor

      Krzysztof Palczewski (Case Western Reserve University)

      Field of Science: Molecular Biosciences

1102. Fusogenic activity of influenza hemagglutinin peptides

      Peter Kasson (University of Virginia)

      Field of Science: Molecular Biosciences

1103. Molecular dynamics simulation studies of polycationDNA binding for gene delivery

      Robert Elder (University of Colorado)

      Field of Science: Molecular Biosciences

1104. Environmental and economic tradeoffs of switchgrass supply chain for biofuel in Tennessee

      Tun-hsiang Yu (University of Tennessee, Knoxville)

      Field of Science: Social and Economic Science

1105. Mechanics of Blood Flow in Microcirculation

      Prosenjit Bagchi (Rutgers, the State University of New Jersey)

      Field of Science: Chemical, Thermal Systems

1106. High Performance and Scalable MPI with GPU Support

      Dhabaleswar Panda (The Ohio State University)

      Field of Science: Computer and Computation Research

1107. Nearshore Wave-Current Interaction and Sediment Transport Modeling

      George Voulgaris (University of South Carolina)

      Field of Science: Ocean Sciences

1108. Campus Champion for University of Louisiana at Lafayette

      Raju Gottumukkala (University of Louisiana, Lafayette)

      Field of Science: Mathematical Sciences

1109. SDSU Computational Sciences Research Network (CSRCnet) Testbed

      Mary Thomas (San Diego State University)

      Field of Science: Computer and Computation Research

1110. TGMCB110083

      Olgun Guvench (University of New England)

      Field of Science: Molecular Biosciences

1111. Solubility and layering in giant planet interiors from ab initio thermodynamics simulations

      Hugh Wilson (University of California-Berkeley)

      Field of Science: Astronomical Sciences

1112. Simulation of DirectDrive Inertial Confinement Fusion Implosions

      Tim Collins (University of Rochester)

      Field of Science: Physics

1113. OCI TeraGrid Learning

      Barry Schneider (National Institute of Standards and Technology)

      Field of Science: Cross-Disciplinary Activities

1114. Evaluation of SPEED-ItFix protein-structure prediction algorithm for low homology sequences

      Michael Wilde (University of Chicago)

      Field of Science: Molecular Biosciences

1115. Cerberus

      Jeff Hammond (Argonne National Laboratory)

      Field of Science: Chemistry

1116. CSE 260/160 - Courses in Parallel Computation

      Scott B. Baden (University of California-San Diego)

      Field of Science: Computer and Computation Research

1117. Studies on electronic, magnetic and lattice properties of bolometeric materials

      Richard Creswick (University of South Carolina)

      Field of Science: Cross-Disciplinary Activities

1118. Enabling Neutron Science Research

      John Cobb (Oak Ridge National Laboratory)

      Field of Science: Materials Research

1119. Quantum Molecular Dynamics on GPUs

      Marc Cawkwell (Los Alamos National Laboratory)

      Field of Science: Advanced Scientific Computing

1120. Coronal Heating Reduced Magnetohydrodynamics via GPGPUs

      Liwei Lin (University of New Hampshire)

      Field of Science: Physics

1121. a CUDA study

      Feng Chen (Purdue University, West Lafayette)

      Field of Science: Mathematical Sciences

1122. DPLASMA

      George Bosilca (University of Tennessee, Knoxville)

      Field of Science: Advanced Scientific Computing

1123. Visualization and Dynamics of Massive GenotypicPhenotypic Networks

      Amir Assadi (University of Wisconsin)

      Field of Science: Cross-Disciplinary Activities

1124. MULTISCALE COMPUTATIONS FOR CATALYTIC CHEMISTRY

      Dionisios Vlachos (University of Delaware)

      Field of Science: Chemistry

1125. Patchwork Family

      Tobias Weinzierl (Durham University)

      Field of Science: Mechanical and Structural Systems

1126. QCD with Four Flavors of Highly Improved Staggered Quarks

      Robert Sugar (University of California-Santa Barbara)

      Field of Science: Physics

1127. UTAACEALUMNI

      Robert Glenn Brook (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities

1128. Ultrascale simulations of blood flow in the intracranial arterial tree

      George Karniadakis (Brown University)

      Field of Science: Chemical, Thermal Systems

1129. Enabling Neutron Science Research with the Neutron Science TeraGrid Gateway

      John Cobb (Oak Ridge National Laboratory)

      Field of Science: Materials Research

1130. || Programming and Runtime Techniques with Charm++ and AMPI

      Celso Mendes (University of Illinois at Urbana-Champaign)

      Field of Science: Advanced Scientific Computing

1131. Framework for Performance Modeling and Prediction

      Allan Snavely (University of California-San Diego)

      Field of Science: Advanced Scientific Computing

1132. Campus Champion for University of Colorado, Boulder

      Jazcek Braden (University of Colorado)

      Field of Science: Training

1133. MULTISCALE MODELING OF BLOOD FLOW AND CLOTTING IN CARDIOVASCULAR DEVICES

      Joao Soares (SUNY at Stony Brook)

      Field of Science: Chemical, Thermal Systems

1134. NEATEC - Northeast Advanced Technological Education Center

      Abraham Michelen (Hudson Valley Community College)

      Field of Science: Chemistry

1135. UTKIDSINTERN

      Richard Glassbrook (Georgia Institute of Technology)

      Field of Science: Cross-Disciplinary Activities

1136. The Three Dimensional Reconstruction of Large Micro-CT Data Sets for the Production of Bio-CAD Blueprints of Tissue Structures to Guide Computer Integrated Manufacturing

      William Mondy (Claflin University)

      Field of Science: Integrative Biology and Neuroscience

1137. Campus Bridging

      Spiros Vellas (Texas A&M University)

      Field of Science: Cross-Disciplinary Activities

1138. Dr

      John Turner (Oak Ridge National Laboratory)

      Field of Science: Advanced Scientific Computing

1139. Extrapolating Dynamic Leidenfrost Principles to Metallic Nanodroplets

      Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1140. Spin Dependence in Binary Black Hole Initial Data

      Scott Hawley (Belmont University)

      Field of Science: Physics

1141. Dr

      John Turner (Oak Ridge National Laboratory)

      Field of Science: Advanced Scientific Computing

1142. Einstein Genome Gateway (science gateway)

      Joseph Hargitai (Albert Einstein College of Medicine)

      Field of Science: Molecular Biosciences

1143. Molecular dynamics simulation of static and dynamic properties of fluids confined in nanopores

      Zhi Liang (Rensselaer Polytechnic Institute)

      Field of Science: Chemical, Thermal Systems

1144. Microscopic Theory of Nuclear Fission

      Jordan McDonnell (University of Tennessee, Knoxville)

      Field of Science: Physics

1145. Multigrid Algorithms for Domain-Wall Fermions in Lattice QCD

      Saul Cohen (University of Washington)

      Field of Science: Physics

1146. CDC RD

      Christopher Lynberg (Centers for Disease Control)

      Field of Science: Advanced Scientific Computing

1147. Anderson Localization of Phonons in Thermoelectric Nanostructures: A Path to Efficient Thermoelectric Energy Generation

      Bruce White (SUNY at Binghamton)

      Field of Science: Materials Research

1148. Simulations of neuraminidase in support of development of new anti-viral flu drugs for both group-1 and group-2 strains

      Ross Walker (University of California-San Diego)

      Field of Science: Chemistry

1149. Numerical Simulation of 2D and 3D Turbulent Convection at Finite and Infinite Prandtl Numbers

      Hans Johnston (University of Massachusetts, Amherst)

      Field of Science: Computer and Computation Research

1150. Numerical methods for aeroacoustics and turbulence

      Fang Hu (Old Dominion University)

      Field of Science: Mathematical Sciences

1151. Three-Dimensional Jet Noise Prediction Using Large Eddy Simulation

      Gregory A. Blaisdell (Purdue University)

      Field of Science: Advanced Scientific Computing

1152. ALTD

      Mark Fahey (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities

1153. Development of a Software Element in GenASiS Neutrino Radiation Hydrodynamics

      Christian Cardall (University of Tennessee, Knoxville)

      Field of Science: Physics

1154. Campus Champion for Penn State

      Jeffrey J. Nucciarone (Pennsylvania State University)

      Field of Science: Training

1155. Center for Integrated Space Weather Modeling

      Jack Quinn (Boston University)

      Field of Science: Atmospheric Sciences

1156. Threebody forces in nuclei

      Gustav Jansen (University of Tennessee, Knoxville)

      Field of Science: Physics

1157. Morphological Control in the Synthesis of Silver Nanostructures: Role of Polyvinylpyrrolidone

      Kristen Fichthorn (Pennsylvania State University)

      Field of Science: Physics

1158. UT AACE External

      Robert Glenn Brook (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities

1159. Starrs Teragrid Champion Startup

      Starr Hazard (Medical University of South Carolina)

      Field of Science: Training

1160. Atomistic Simulations of Laser Interactions with Metals

      Leonid Zhigilei (University of Virginia)

      Field of Science: Materials Research

1161. Campus Champion for University of Missouri - Kansas City

      Paul Rulis (University of Missouri, Kansas City)

      Field of Science: Training

1162. Campus Champion for University of Wyoming

      Bryan Shader (University of Wyoming)

      Field of Science: Training

1163. Scalable Autocalibrated Ice Sheet Modeling

      Yingkui Li (University of Tennessee, Knoxville)

      Field of Science: Earth Sciences

1164. Campus Champion for University of Wisconsin-Milwaukee

      Dan Siercks (University of Wisconsin-Milwaukee)

      Field of Science: Training

1165. Atomistic mechanisms of cyclic hardening of metallic glass under nanoindentation

      Chuang Deng (Massachusetts Institute of Technology)

      Field of Science: Mechanical and Structural Systems

1166. Fall 2011 ECE/CS 5504

      Mark Jones (Virginia Polytechnic Institute and State University)

      Field of Science: Computer and Computation Research

1167. Software Engineering Practices in High Performance Computing

      Scott Hissam (Carnegie Mellon University)

      Field of Science: Computer and Computation Research

1168. Atomistic Simulations of Electrokinetic Transport of Ions and Colloidal Particles Through water confined in Silica Nanochannels

      Harvey Zambrano (Ohio State University)

      Field of Science: Chemical, Thermal Systems

1169. Performance measurements and modelling of fragmentation-based quantum chemical methods

      Alexander Gaenko (University of Michigan)

      Field of Science: Advanced Scientific Computing

1170. Serpin conformational change

      Patrick Wintrode (Case Western Reserve University)

      Field of Science: Molecular Biosciences

1171. Generating Images and Spectra of Simulated Galaxies

      Patrik Jonsson (Harvard University)

      Field of Science: Astronomical Sciences

1172. Fiscal Policy with Heterogeneous Agents and Incomplete Markets

      Omer Acikgoz (Yeshiva University)

      Field of Science: Social and Economic Science

1173. Project Athena Climate Data Analysis and Visualization

      Lawrence Marx (Center for Ocean-Land-Atmosphere Studies)

      Field of Science: Atmospheric Sciences

1174. Materials Knowledge Systems for High Fidelity Scale Bridging in Multiscale Models

      Surya Kalidindi (Georgia Institute of Technology)

      Field of Science: Materials Research

1175. Molecular Modeling Studies of Synthetic Anion Transporter Pores in Biological and Synthetic Membranes

      Adam Skelton (University of Dayton)

      Field of Science: Materials Research

1176. 3D Visualization of Moral Compass Cognitive Architecture

      Joseph Paradiso (Massachusetts Institute of Technology)

      Field of Science: Information, Robotics, and Intelligent Systems

1177. Hierarchical Memory for MADNESS

      George Fann (Oak Ridge National Laboratory)

      Field of Science: Mathematical Sciences

1178. Transport of ions in nanoscale pores

      M Anantram (University of Washington)

      Field of Science: Cross-Disciplinary Activities

1179. Pilot study on interpolation and raster calculation via keeneland

      Xuan Shi (Georgia Tech)

      Field of Science: Advanced Scientific Computing

1180. Structure and reactions of nuclei using complex scaling

      Andras Kruppa (University of Tennessee, Knoxville)

      Field of Science: Physics

1181. Physicsbased protein structure refinement

      Justin MacCallum (SUNY Stony Brook)

      Field of Science: Molecular Biosciences

1182. MLS

      Jacques Pienaar (Purdue)

      Field of Science: Computer and Computation Research

1183. Modeling immune cell cytoskeletal regulation

      Manish Butte (Stanford University)

      Field of Science: Molecular Biosciences

1184. Communication efficient scaling of parallel applications onto Large Supercomputers

      Radha Nandkumar (University of Illinois at Urbana-Champaign)

      Field of Science: Networking and Communications Research

1185. Computational modeling of ultracold molecular collisions and reactions involving clusters and nanoparticles

      Balakrishnan Naduvalath (University of Nevada-Las Vegas)

      Field of Science: Chemistry

1186. Computational Study of Astrophysical Plasmas in the Regime of Relativistic Jets

      Ken-Ichi Nishikawa (University of Alabama, Huntsville)

      Field of Science: Astronomical Sciences

1187. Numerical Relativity / Analytical Relativity Collaboration

      Erik Schnetter (Perimeter Institute for Theoretical Physics)

      Field of Science: Astronomical Sciences

1188. The Role of Climate System Noise in Climate Variability

      James Kinter (George Mason University)

      Field of Science: Atmospheric Sciences

1189. Molecular Dynamics Simulations in Bioenergy, Bioremediation and Protein Dynamics

      Jeremy Smith (University of Tennessee, Knoxville)

      Field of Science: Molecular Biosciences

1190. Simulation of Wave Loads on Offshore Wind Turbines

      David Schmidt (University of Massachusetts, Amherst)

      Field of Science: Chemical, Thermal Systems

1191. Quantum Simulations of Functionalized Nanocomposites

      Xiao-Qian Wang (Clark Atlanta University)

      Field of Science: Materials Research

1192. The Onset of Tornadogenesis with Ultra-Fine Grids

      Jerry Straka (University of Oklahoma)

      Field of Science: Atmospheric Sciences

1193. First-Principles Studies in Heterogeneous Catalysis

      Carrie Farberow (University of Wisconsin-Madison)

      Field of Science: Chemical, Thermal Systems

1194. Graph Feature Calculations on SharedMemory Platforms

      Josh Lothian (Oak Ridge National Laboratory)

      Field of Science: Mathematical Sciences

1195. Simulations of High Velocity Clouds: Self-Consistent Non-Equilibrium Ionization Calculations

      Kyujin Kwak (University of Georgia)

      Field of Science: Astronomical Sciences

1196. MSE 614 Course

      David Keffer (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1197. The Hyades Project: Disentangling Gaseous Halos using Simulations

      James Bullock (University of California-Irvine)

      Field of Science: Astronomical Sciences

1198. HPC Class with KIDS

      Jeffrey Vetter (Oak Ridge National Laboratory)

      Field of Science: Educational

1199. Genome Informatics for animals and plants

      Donald Gilbert (Indiana University)

      Field of Science: Molecular Biosciences

1200. HFIR LEU Conversion

      James Freels (Oak Ridge National Laboratory)

      Field of Science: Mechanical and Structural Systems

1201. Seismic Analysis of US EPR NPP

      Mansour Tabatabaie (SC Solutions)

      Field of Science: Mechanical and Structural Systems

1202. UTCORNING4

      Leslie Button (Corning Incorporated)

      Field of Science: Materials Research

1203. Ab Initio Molecular Dynamics of Proteins

      Todd Martinez (Stanford University)

      Field of Science: Chemistry

1204. Enabling Breakthrough Kinetic Simulations of the Magnetosphere

      Homayoun Karimabadi (University of California-San Diego)

      Field of Science: Atmospheric Sciences

1205. Molecular Dynamics of Rod-Coil Block Copolymers

      Muzhou Wang (Massachusetts Institute of Technology)

      Field of Science: Materials Research

1206. Magnetized AGN Feedback in Clusters of Galaxies

      Paul M. Ricker (University of Illinois at Urbana-Champaign)

      Field of Science: Astronomical Sciences

1207. Campus Champion for University of South Carolina

      Jerry Ebalunode (University of Houston)

      Field of Science: Training

1208. Development and application of multi-scale quantum models to study RNA catalysis

      Darrin York (Rutgers, the State University of New Jersey)

      Field of Science: Chemistry

1209. Campus Champion Program for The University of Texas at El Paso

      Rodrigo Romero (University of Texas at El Paso)

      Field of Science: Mathematical Sciences

1210. Structure, energetics, vibrational spectroscopy, and phase transition of materials for energy and geochemical applications

      Jianwei Wang (Louisiana State University)

      Field of Science: Materials Research

1211. Multiscale Modeling of Carbon-Based Nanomaterials

      Boris Yakobson (Rice University)

      Field of Science: Materials Research

1212. Campus Champion for Swarthmore College

      Andrew Ruether (Swarthmore College)

      Field of Science: Training

1213. Development of accurate semiempirical methods for simulating mercury resistance enzymes

      Jerry Parks (Oak Ridge National Laboratory)

      Field of Science: Chemistry

1214. Lattice Strong Dynamics at the TeV scale

      George Fleming (Yale University)

      Field of Science: Physics

1215. Large Scale Simulation of Membrane Channels and Transporters

      Emad Tajkhorshid (University of Illinois at Urbana-Champaign)

      Field of Science: Molecular Biosciences

1216. SCEC Rupture Dynamics Code Validation

      Thomas Jordan (University of Southern California)

      Field of Science: Earth Sciences

1217. Protein Structure and Dynamics of Ureases

      Benjamin Roberts (University of Auckland)

      Field of Science: Molecular Biosciences

1218. Scaling Frequent Itemset Mining on Massively Parallel Platforms

      Jason Bakos (University of South Carolina)

      Field of Science: Computer and Computation Research

1219. Multi-Year Renewal of MCA-07S005: High-throughput, Data-Mining and Genetic Calculations of material properties

      Stefano Curtarolo (Duke University)

      Field of Science: Materials Research

1220. Duke GPU computing tests

      Tom Milledge (Duke University)

      Field of Science: Cross-Disciplinary Activities

1221. Modeling Turbulent Convection and Differential Rotation in the Sun Using Spectral Difference Method

      Chunlei Liang (George Washington University)

      Field of Science: Atmospheric Sciences

1222. MHD modeling of solar system processes on geodesic grids

      Xiaocheng Guo (University of Alabama, Huntsville)

      Field of Science: Atmospheric Sciences

1223. An investigation of global atmospheric river dynamics and hydrology using the Community Atmosphere Model Version 5

      Jesse Nusbaumer (University of Colorado)

      Field of Science: Atmospheric Sciences

1224. Investigating a Teragrid-Powered Bioinformatics Portal

      Christopher Hemmerich (Indiana University)

      Field of Science: Environmental Biology

1225. Campus Champions for Brown University

      Jaime Combariza (Johns Hopkins University)

      Field of Science: Training

1226. PaRSEC

      George Bosilca (University of Tennessee, Knoxville)

      Field of Science: Computer and Computation Research

1227. Understanding cellulose and cellulosedegrading enzymes for biofuels applications

      Gregg Beckham (National Renewable Energy Laboratory)

      Field of Science: Molecular Biosciences

1228. Direct Numerical Simulation of Jet Noise using Hermite Methods

      Daniel Appelo (University of New Mexico)

      Field of Science: Advanced Scientific Computing

1229. Migrating the Uintah Software to CPUGPU Architectures

      Martin Berzins (University of Utah)

      Field of Science: Advanced Scientific Computing

1230. Testing Fourier pseudo spectral programms on accelerated hardware

      Benson Muite (University of Tartu)

      Field of Science: Mathematical Sciences

1231. Microstructure-Level Simulations of Multiphase Materials

      Katsuyo Thornton (University of Michigan)

      Field of Science: Materials Research

1232. Controlling the movement of metallic metallic nanoscale objects via induced dewetting

      Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

      Field of Science: Physics

1233. Insilico mutagenesis of betahairpin protein folding

      Jesus A. Izaguirre (University of Notre Dame)

      Field of Science: Cross-Disciplinary Activities

1234. TGMCB090159 Understanding cellulose and cellulosedegrading enzymes for biofuels applications

      Gregg Beckham (National Renewable Energy Laboratory)

      Field of Science: Molecular Biosciences

1235. SALAMI

      John Downie (University of Illinois at Urbana-Champaign)

      Field of Science: Humanities

1236. UT Computational Chemistry

      Robert Harrison (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1237. Comprehensive reaction mechanism generation for hydrocarbon fuels

      Ramanan Sankaran (Oak Ridge National Laboratory)

      Field of Science: Chemistry

1238. Mesoscale Plasticity through large scale computation

      Amit Acharya (Carnegie Mellon University)

      Field of Science: Materials Research

1239. Evolving improved binary black hole initial data

      Wolfgang Tichy (Florida Atlantic University)

      Field of Science: Physics

1240. Shuomas Project

      Shuo Ma (San Diego State University)

      Field of Science: Earth Sciences

1241. Relating Genotypes to Phenotypes in Complex Environments

      Peter Bailey (University of Arizona)

      Field of Science: Molecular Biosciences

1242. Quantum transport simulation with inelastic excitonphonon and excitonplasmon scattering effects in graphene and carbon nonodevices

      Mark Jack (Florida A&M University)

      Field of Science: Mechanical and Structural Systems

1243. Theoretical Studies of the De-wetting Mechanims of Metallic Thin-Films

      Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1244. Accelerating Nano-scale Transistor Innovation through Petascale Simulation

      Gerhard Klimeck (Purdue University)

      Field of Science: Electrical and Communication Systems

1245. Characterizing the ligand binding pathway of a Sphingolipid Receptor

      Alisha Caliman (UCSD)

      Field of Science: Biological and Critical Systems

1246. Nextgeneration sparse direct solvers for heterogeneous platforms

      Richard Vuduc (Georgia Institute of Technology)

      Field of Science: Computer and Computation Research

1247. AIMD simulations of carbon nanotubes

      Gary Hoffman (Elizabethtown College)

      Field of Science: Chemistry

1248. The enhancement effect of Pt clusters on the TiO2 photoactivity in solution

      Christopher Muhich (University of Colorado)

      Field of Science: Chemistry

1249. pHinder an engine for proton sensor discovery

      Daniel Isom (University of North Carolina)

      Field of Science: Cross-Disciplinary Activities

1250. Ab initio quantum mechanical studies on potential anti-malarial compounds

      James A. Dix (SUNY at Binghamton)

      Field of Science: Molecular Biosciences

1251. Description of fission in a multidimensional collective space

      Jochen Erler (University of Tennessee, Knoxville)

      Field of Science: Physics

1252. Largescale molecular dynamics simulation of multicomponent polymer systems Design of novel materials for applications in consumer goods energy storage and drugdelivery

      Monojoy Goswami (Oak Ridge National Laboratory)

      Field of Science: Materials Research

1253. Large Scale Molecular Dynamic Simulations of Poly-Dots

      Dvora Perahia (Clemson University)

      Field of Science: Materials Research

1254. Campus Champion for University of Arkansas at Pine Bluff

      Benjamin Garlington (University of Arkansas, Pine Bluff)

      Field of Science: Training

1255. Genome sequence assembly for Coccinella septempunctata a biological model organism and introduced biological control agent

      Margaret Staton (University of Tennessee, Knoxville)

      Field of Science: Biological and Critical Systems

1256. Computational analysis of ultrahigh resolution fMRI data

      Thomas Naselaris (Medical University of South Carolina)

      Field of Science: Behavioral and Neural Sciences

1257. The Mechanism of the Sarcoendoplasmic Reticulum ATPdriven Calcium Pump

      Benoit Roux (University of Chicago)

      Field of Science: Biological and Critical Systems

1258. Technology Insertion Service

      John Lockman (University of Texas at Austin)

      Field of Science: Computer and Computation Research

1259. Xeon Phi exploration for dataintensive computing

      Sean Ahern (University of Tennessee, Knoxville)

      Field of Science: Computer and Computation Research

1260. Cyberinvestigations of compressible turbulence

      Diego Donzis (Texas A&M University)

      Field of Science: Chemical, Thermal Systems

1261. Update Parallel Curriculum in Small Colleges

      Xinlian Liu (Hood College)

      Field of Science: Educational

1262. Extreme Scale Deep Learning

      Geoffrey Fox (Indiana University)

      Field of Science: Computer and Computation Research

1263. Intern

      Gregory Peterson (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities

1264. Structure properties relationship in organic biradical compounds

      Jacob Fosso Tande (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1265. Molecular Dynamics simulations of PTEN in solution and in the lipid membrane-associated state

      Hirsh Nanda (Carnegie Mellon University)

      Field of Science: Molecular Biosciences

1266. Rainbow trout genome

      Mohamed Slaem (MTSU)

      Field of Science: Molecular Biosciences

1267. IPCC DANIL

      Lonnie Crosby (University of Tennessee, Knoxville)

      Field of Science: Behavioral and Neural Sciences

1268. educating graduate students parallel computing

      Yuefan Deng (SUNY at Stony Brook)

      Field of Science: Mathematical Sciences

1269. Lockhead Martin - Beacon

      Edwin Blosch (Lockheed Martin Aeronautics Company)

      Field of Science: Computer and Computation Research

1270. Campus Champions Program for Purdue University

      Kimberley Dillman (Purdue University)

      Field of Science: Cross-Disciplinary Activities

1271. Campus Champions program for the SIUC Computing Community

      Tonny Oyana (Southern Illinois University, Carbondale)

      Field of Science: Advanced Scientific Computing

1272. HPSS transfer

      Gregory Peterson (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities

1273. NonEquilibruim Dynamics of complex fluids

      Bamin Khomami (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1274. HighOrder Field Simulation

      William Anderson (University of Tennessee, Chattanooga)

      Field of Science: Advanced Scientific Computing

1275. Large Scale Testing for Multigrid Solver

      Scott Hawley (Belmont University)

      Field of Science: Physics

1276. Apache Drill Stress and Performance Testing and Benchmarking

      Edmon Begoli (PYA Analytics)

      Field of Science: Computer and Computation Research

1277. Theoretical studies of 2D materials the cases of silicene and germanene

      Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1278. ABC Estimation of Dispersal

      Allan Strand (UT -- College of Charleston)

      Field of Science: Environmental Biology

1279. Patent Graph Mining Simulation

      Michael Berry (University of Tennessee, Knoxville)

      Field of Science: Advanced Scientific Computing

1280. Simulations of Magnetized Astrophysical Plasmas with Anisotropic Conduction, Viscosity, and Energetic Particles

      Ian Parrish (University of California-Berkeley)

      Field of Science: Astronomical Sciences

1281. TeraGrid Simulation and Analysis for the NSF Network for Earthquake Engineering Simulation (NEES)

      Thomas Hacker (Purdue University)

      Field of Science: Biological and Critical Systems

1282. Campus Champions program for University of California Santa Barbara

      Stefan Boeriu (University of California, Santa Barbara)

      Field of Science: Advanced Scientific Computing

1283. GeneNetwork

      Robert Williams (University of Tennessee, Health Science Center)

      Field of Science: Integrative Biology and Neuroscience

1284. Intro to Scientific Computing Special Topics Course

      Louie Elliott (University of Tennessee, Chattanooga)

      Field of Science: Educational

1285. Development of Data Analyses Pipeline for High Throughput Seque

      Alice Layton (University of Tennessee, Knoxville)

      Field of Science: Molecular Biosciences

1286. Multiscale Modeling of Bifunctional Heterogeneous Catalysts

      Andreas Heyden (University of South Carolina)

      Field of Science: Chemical, Thermal Systems

1287. Genetic Coexpression Networks

      Eugene Fluder (Mt. Sinai School of Medicine)

      Field of Science: Biological and Critical Systems

1288. Catalytic Promiscuity of SixBladed BetaPropeller Lactonases Enabled by Active Site Loops

      Troy Wymore (University of Tennessee, Knoxville)

      Field of Science: Molecular Biosciences

1289. Eddy diffusivities in the Southern Ocean from an eddying model

      Alexa Griesel (Scripps Institution of Oceanography)

      Field of Science: Ocean Sciences

1290. RUSLE2 Exploratory

      Daiel Yoder (University of Tennessee, Knoxville)

      Field of Science: Earth Sciences

1291. Atomic detail studies of heterogeneous biological carbohydrate interactions

      Olgun Guvench (University of New England)

      Field of Science: Molecular Biosciences

1292. Cray NANO

      Gregory Peterson (University of Tennessee, Knoxville)

      Field of Science: Computer and Computation Research

1293. DIRECT NUMERICAL SIMULATION OF SPATIALLY DEVELOPING TURBULENT BOUNDARY LAYERS ON NSF TERAGRID SUPERCOMPUTERS

      Antonino Ferrante (University of Washington)

      Field of Science: Chemical, Thermal Systems

1294. Understanding cellulose and cellulose-degrading enzymes for biofuels applications

      Gregg Beckham (National Renewable Energy Laboratory)

      Field of Science: Molecular Biosciences

1295. Molecular Simulations of Transmembrane and Membrane-associated Proteins

      Jeffery Klauda (University of Maryland, College Park)

      Field of Science: Molecular Biosciences

1296. Studies In Theoretical Astrophysics and General Relativity

      Stuart Shapiro (University of Illinois at Urbana-Champaign)

      Field of Science: Physics

1297. Optimization of a physics-based united-residue force-field (UNRES) for protein folding simulation

      Harold Scheraga (Cornell University)

      Field of Science: Molecular Biosciences

1298. Superatom Inspired Rational Design of Fullspectrum Perovskite Solar Cells

      Puru Jena (Virginia Commonwealth University)

      Field of Science: Materials Research

1299. Simulations of Viral Capsid Assembly and Adenylate Kinase

      Michael Hagan (Brandeis University)

      Field of Science: Molecular Biosciences

1300. Structural Optimization

      Stephanie TerMaath (University of Tennessee, Knoxville)

      Field of Science: Mechanical and Structural Systems

1301. NICS National Education Award

      Gregory Peterson (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities

1302. Multiscale Research on Assessment of Nanotoxicity

      Jerzy Leszczynski (Jackson State University)

      Field of Science: Materials Research

1303. First PrincipleBased Prediction of Bulk Properties

      Jing Kong (Middle Tennessee State University)

      Field of Science: Chemistry

1304. Gromacs for MIC

      Roland Schulz (University of Tennessee, Knoxville)

      Field of Science: Biological and Critical Systems

1305. Global Forecast System

      Raghurama Reddy (National Oceanic and Atmospheric Administration)

      Field of Science: Atmospheric Sciences

1306. Computational Pattern Recognition on Images and Simulations of Galaxies

      John Wallin (Middle Tennessee State University)

      Field of Science: Astronomical Sciences

1307. Research Allocation(TRAC) : Star Formation on the TeraGrid Obtaining Direct Evidence for Ambipolar Diffusion in Astrophysical

      Dinshaw Balsara (University of Notre Dame)

      Field of Science: Astronomical Sciences

1308. TURBULENCE AND MAGNETIC FIELDS IN ASTROPHYSICAL PLASMAS

      William Dorland (University of Maryland, College Park)

      Field of Science: Astronomical Sciences

1309. Quantum and Classical Simulations Applied to Biomolecular Systems

      Michael Klein (Temple University)

      Field of Science: Chemistry

1310. SI2-SSI: A Productive and Accessible Development Workbench for HPC Applications Using the Eclipse Parallel Tools Platform

      Jay Alameda (University of Illinois at Urbana-Champaign)

      Field of Science: Advanced Scientific Computing

1311. Code development on Darter

      Jeffrey Vetter (Oak Ridge National Laboratory)

      Field of Science: Advanced Scientific Computing

1312. The Role of Climate System Noise in Climate Variabilit

      James Kinter (George Mason University)

      Field of Science: Atmospheric Sciences

1313. LN STEM Academy Interns

      Vincent Betro (Baylor School Chattanooga)

      Field of Science: International Programs

1314. LES for turboprop fan noise and performance

      Rathakrishnan Bhaskaran (General Electric Global Research)

      Field of Science: Advanced Scientific Computing

1315. Discovery of Layered Materials for Energy and Electronics

      Panchapakesan Ganesh (Oak Ridge National Laboratory)

      Field of Science: Materials Research

1316. Fast Particle Simulations

      Ramesh Pankajakshan (University of Tennessee, Chattanooga)

      Field of Science: Advanced Scientific Computing

1317. Quantum Efficiency Functions

      John Styers (University of Massachusetts Lowell)

      Field of Science: Physics

1318. PoPLAR Science Gateway Friendly User Testing Allocation Request

      Bhanu Rekepalli (other)

      Field of Science: Molecular Biosciences

1319. High Performance Computing Resources in Support of Spatiotemporal Relational Data Mining for Tornado Anticipation

      Amy McGovern (University of Oklahoma)

      Field of Science: Atmospheric Sciences

1320. Simulate the Diffuse Hot Gas in M31 Bulge

      Daniel Q. Wang (University of Massachusetts, Amherst)

      Field of Science: Astronomical Sciences

1321. Monte Carlo Simulations for Multiagence Urban Search Experiments MUSE

      Dwayne John (National Institute for Computational Sciences)

      Field of Science: Physics

1322. Phosphorylationmediated rate enhancement in ribonuclease III

      Giacomo Fiorin (Temple University)

      Field of Science: Molecular Biosciences

1323. High Performance Computing Resources in Support of Storm-Scale Numerical Weather Prediction

      Ming Xue (University of Oklahoma)

      Field of Science: Atmospheric Sciences

1324. Electronic Structure and Dynamics of Advanced Materials

      Jacek Jakowski (Oak Ridge National Laboratory)

      Field of Science: Materials Research

1325. Chemical Conversion

      Ariana Beste (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1326. Appications of nuclear Density Functional Theory

      Witold Nazarewicz (University of Tennessee, Knoxville)

      Field of Science: Physics

1327. Scalable Simulations of Turbulent Combustion using the LES/FDF/ISAT Methodology

      Stephen Pope (Cornell University)

      Field of Science: Chemical, Thermal Systems

1328. An Evaluation of the Economic Costs and Greenhouse Gases Emission of a biofuel Supply Chain in Tennessee

      Lixia Lambert (University of Tennessee, Knoxville)

      Field of Science: Social and Economic Science

1329. Multiscale Modeling of Nanostructured Materials For Energy Applications

      David Keffer (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1330. Structure and Dynamics of Membrane Bound Proteins Combining Neutron Scattering with Molecular Simulations

      Hirsh Nanda (Carnegie Mellon University)

      Field of Science: Molecular Biosciences

1331. A Residual Based Turbulence Model for Large Eddy Simulation

      Arif Masud (University of Illinois at Urbana-Champaign)

      Field of Science: Mathematical Sciences

1332. Atomistic simulations of mechanical and physical properties of nano-twinned metals and semiconductors

      Huajian Gao (Brown University)

      Field of Science: Mechanical and Structural Systems

1333. Computational Biophysics: Application of Advanced Algorithms to Protein Folding

      Jim Pfaendtner (University of Washington)

      Field of Science: Molecular Biosciences

1334. Asteroseismic Modeling Portal (AMP)

      Travis Metcalfe (Space Science Institute)

      Field of Science: Astronomical Sciences

1335. Lattice Gauge Theory on MIMD Parallel Computers

      Robert Sugar (University of California-Santa Barbara)

      Field of Science: Physics

1336. Mesoscale Processes in the Northwest Pacific and Indian Oceans from POP

      Julie McClean (Scripps Institution of Oceanography)

      Field of Science: Ocean Sciences

1337. Discovery of Novel Antibiotic for MultiDrug Resitant Nosocomial Pathogens

      Matthew Couger (Oklahoma State University)

      Field of Science: Biological and Critical Systems

1338. Vectorization and Optimization for the ORNL Climate Change Science Institute

      Robert Glenn Brook (University of Tennessee, Knoxville)

      Field of Science: Atmospheric Sciences

1339. HighFidelity CFDCAA Simulations of Installed GE Turboprop Designs

      Trevor Wood (GE Global Research)

      Field of Science: Mechanical and Structural Systems

1340. CFD simulations for Computational Research and Engineering for Acquisition Tools and Environments CREATEAV

      Ryan Glasby ()

      Field of Science: Cross-Disciplinary Activities

1341. Computational Relativistic Astrophysics Models of Stellar Collapse and Binary Black Hole Coalescence

      Christian Ott (California Institute of Technology)

      Field of Science: Physics

1342. Self-consistent simulations of particle acceleration in astrophysical collisionless shocks

      Anatoly Spitkovsky (Princeton University)

      Field of Science: Astronomical Sciences

1343. Math 578

      Vasilios Alexiades (University of Tennessee, Knoxville)

      Field of Science: Mathematical Sciences

1344. Direct Numerical Simulation of Bubble Dynamics in Deformable Vessels

      Timothy Colonius (California Institute of Technology)

      Field of Science: Chemical, Thermal Systems

1345. Simulation and Analysis of Tornadogenesis in Simulated Supercell Thunderstorms

      Leigh G. Orf (University of Wisconsin-Madison)

      Field of Science: Atmospheric Sciences

1346. Thermonuclear Bursts on the Surfaces of \Compact Astrophysical Objects

      Michael Zingale (SUNY at Stony Brook)

      Field of Science: Astronomical Sciences

1347. Quantum Monte Carlo and DMRG approaches to Strongly Correlated Systems

      Bryan Clark (University of Illinois at Urbana-Champaign)

      Field of Science: Materials Research

1348. Large Eddy Simulation of Practical Turbulent Combustion

      Peyman Givi (University of Pittsburgh)

      Field of Science: Chemical, Thermal Systems

1349. Campus Champion for Marshall University

      Jack Smith (Marshall University)

      Field of Science: Chemistry

1350. Regulating Star Formation by Molecular Hydrogen in Cosmological and Single Galaxy SPH Simulations

      Robert Thompson (University of Arizona)

      Field of Science: Astronomical Sciences

1351. Introduction to parallel numerical methods

      Benson Muite (University of Tartu)

      Field of Science: Mathematical Sciences

1352. THE PROPERTIES OF INVERSE CASCADES IN ROTATING TURBULENCE

      Annick Pouquet (University of Colorado, Boulder)

      Field of Science: Physics

1353. Large-scale molecular dynamics and discrete-state modeling of Cl- transport through CmCLC transporter

      Rob Coalson (University of Pittsburgh)

      Field of Science: Molecular Biosciences

1354. Ab initio Spectroscopic Imaging of Complex Microstructural Materials

      Paul Rulis (University of Missouri, Kansas City)

      Field of Science: Materials Research

1355. Visualization and Dynamics of Massive GenotypicPhenotypic Networks

      Amir Assadi (University of Wisconsin)

      Field of Science: Cross-Disciplinary Activities

1356. Statistical Modeling of Avian Distributional Dynamics on the Teragrid: Support for The Phenological Atlas of North American Birds

      Daniel Fink (Cornell University)

      Field of Science: Environmental Biology

1357. Radical solutions to modern challenges: from CO2 reduction to antibiotics; Atom-level mechanisms of important metalloproteins.

      Catherine Drennan (Massachusetts Institute of Technology)

      Field of Science: Chemistry

1358. An MPI CUDA based Parallel Implementation of LSQR Algorithm for Seismic Tomography

      Liqiang Wang (University of Wyoming)

      Field of Science: Cross-Disciplinary Activities

1359. Insertion and Folding Mechanisms of the WALP16 Model Peptide into Lipid Bilayers

      Michela Taufer (University of Delaware)

      Field of Science: Chemistry

1360. Gravitational Waves from Compact Binaries: Computational Contributions to LIGO

      Saul A. Teukolsky (Cornell University)

      Field of Science: Physics

1361. Study of lattice strain evolution in polycrystalline materials using full field crystal plasticity FFT model

      Anand Kanjarla (Los Alamos National Laboratory)

      Field of Science: Mechanical and Structural Systems

1362. Molecular-Scale Understanding and Design of Zwitterionic Materials

      Shaoyi Jiang (University of Washington)

      Field of Science: Chemistry

1363. Campus Champion for Rutgers University

      Robert Gerdes (Rutgers, the State University of New Jersey)

      Field of Science: Training

1364. Developing and Testing Systems Biology Toolbox

      Bhanu Rekepalli (other)

      Field of Science: Advanced Scientific Computing

1365. Multiscale Modeling of the Coupling between Langmuir Turbulence and Submesoscale Variability in the Oceanic Mixed Layer

      Baylor Fox-Kemper (Brown University)

      Field of Science: Ocean Sciences

1366. Large scale simulations of multiple scattering of waves in random media and rough surfaces

      Leung Tsang (University of Michigan)

      Field of Science: Earth Sciences

1367. TeraGrid Startup Allocation Request for Molecular Dynamics Simulations of Thermal Resistance at the Graphite/Water Interface

      Ali Beskok (Old Dominion University)

      Field of Science: Chemical, Thermal Systems

1368. Parallel iterative solvers applied to dynamical mean-field theory and numerical-linked clusters

      Pierre Carrier (University of Minnesota)

      Field of Science: Physics

1369. New QM/MM approaches for high performance molecular dynamics simulations of condensed phase biological systems

      Andreas Goetz (University of California-San Diego)

      Field of Science: Chemistry

1370. Flexible Protein-Small Ligand Docking Using an Ensemble of Conformations generated with Molecular Dynamics Simulations Guided by Motions from Coarse Grain Elastic Network- An Application to Human beta 2 Adrenergic Receptor

      Basak Isin (University of Pittsburgh)

      Field of Science: Molecular Biosciences

1371. Direct Numerical Simulations of Turbulence Interactions with Developing Flames in Premixed and Stratified Mixtures

      John Abraham (Purdue University)

      Field of Science: Chemical, Thermal Systems

1372. MULTISCALE SIMULATIONS OF ELECTROCHEMICAL SYSTEMS

      Narayana Aluru (University of Illinois at Urbana-Champaign)

      Field of Science: Cross-Disciplinary Activities

1373. Accurate Direct Numerical Simulations of Magnetically-Driven Gamma-Ray Bursts and Supernovae

      Roger Blandford (Stanford University)

      Field of Science: Astronomical Sciences

1374. Computing the Thermodynamic Forces of Decomposing a Cellulose Microfibril by Cellulase

      Jhih-Wei Chu (University of California-Berkeley)

      Field of Science: Molecular Biosciences

1375. A Theoretical Investigation of the Molecular Constituents of Oil Shale

      Carol Parish (University of Richmond)

      Field of Science: Chemistry

1376. Description of Weak Interactions by Density Functional Theory

      Alvaro Vazquez-Mayagoitia (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1377. Investigating Anesthesia Mechanisms through Study on Interactions between Anesthetics Molecules and Ligand-gated Ion Channels: Large-Scale Molecular Dynamics Simulation

      Lu Liu (University of Pittsburgh School of Medicine)

      Field of Science: Molecular Biosciences

1378. Investigations of Colossal Magnetoresistive and Multiferroic Manganites Using Realistic Two-Orbital Models with Disorder

      Cengiz Sen (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1379. Global Modeling of Earths Magnetosphere

      Joachim Raeder (University of New Hampshire)

      Field of Science: Atmospheric Sciences

1380. First Principles Based Modeling of Proton Diffusion in Decorated Carbon Nanotubes as Structurally Defined Systems for Proton Exchange Membranes

      Stephen Paddison (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1381. A Study of Flow-Structure Interaction in Complex Biological Systems Using a Parallelized Immersed Boundary Solver

      Rajat Mittal (Johns Hopkins University)

      Field of Science: Chemical, Thermal Systems

1382. LES and DNS of Turbulent Spatially Evolving Boundary Layers in Pressure Gradient Flows Via Multi-Scale Method

      Luciano Castillo (Texas Tech University)

      Field of Science: Chemical, Thermal Systems

1383. Development of Compressible Immersed Boundary Solvers for Complex Flows and Aeroacoustics

      Jung-Hee Seo (Johns Hopkins University)

      Field of Science: Mathematical Sciences

1384. First-Principles Investigation of Elastic Constants of Sn-based Intermetallics and Thermodynamics of Fe-based Multicomponent Alloys

      Gautam Ghosh (Northwestern University)

      Field of Science: Materials Research

1385. ultracold molecular photoassociation dynamics of lithium-yetterbium atoms; and three-body recombination in magnetized cold plasmas

      Hossein Sadeghpour (Smithsonian, Astrophys Obs)

      Field of Science: Physics

1386. Molecular Biophysics Simulations: Neutron Scattering and Bioenergy

      Jeremy Smith (University of Tennessee, Knoxville)

      Field of Science: Molecular Biosciences

1387. Molecular Simulation of Structured Nano-Phases: Confinement Effects, Reaction, Diffusion, and Modeling of Disordered Nanoporous Carbons and Supercapacitor Materials

      Keith E. Gubbins (North Carolina State University at Raleigh)

      Field of Science: Chemistry

1388. Hurricane Storm Surge Simulations on Petascale Computers

      Clinton Dawson (University of Texas at Austin)

      Field of Science: Mathematical Sciences

1389. Kinetic Dissipation of Astrophysical Plasma Turbulence

      Gregory Howes (University of Iowa)

      Field of Science: Physics

1390. Metabolomics Workflows with MAVEN

      Lonnie Crosby (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1391. Attributes of Aerodynamic Processes

      Alan Stagg (Oak Ridge National Laboratory)

      Field of Science: Chemical, Thermal Systems

1392. Harnessing Scalable Libraries for Statistical Computing

      George Ostrouchov (University of Tennessee, Knoxville)

      Field of Science: Mathematical Sciences

1393. Density Matrix Renormalization Group DMRG study of Iron based Superconductors using the Multiband Hubbard Model Interplay between Magnetism and Superconductivity

      Alberto Nocera (ORNL)

      Field of Science: Physics

1394. Monte Carlo Simulation on the Nature of Photon Propagation in Scattering Samples

      Justin Baba (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities

1395. Salt and Co-Solvent Effects for Proteins and Nucleic Acids

      Bernard Pettitt (University of Texas Medical Branch)

      Field of Science: Chemistry

1396. Simulations of Magnetized Relativistic Accretion Disks and Jets

      Ramesh Narayan (Harvard University)

      Field of Science: Astronomical Sciences

1397. Employing Photochemical Modeling to Support DecisionMaking on Air Quality Management Strategies for the State of Tennessee

      James Johnston (Division of Air Pollution Control)

      Field of Science: Atmospheric Sciences

1398. Multi-Scale Modeling of Transport Phenomena in Inkjet Deposition of Functional Materials for Printable Electronics

      Ying Sun (Drexel University)

      Field of Science: Chemical, Thermal Systems

1399. Deep Learning Applications for FMRi and CT Scans for automatics detection and classification of Stroke

      Ashish Gupta (University of Tennessee, Chattanooga)

      Field of Science: Integrative Biology and Neuroscience

1400. Batista Project

      Cristian Batista (University of Tennessee, Knoxville)

      Field of Science: Physics

1401. First principles calculations of oxygen vacancies in cubic and orthorhombic SrZrO3

      Jianqi Xi (University of Tennessee, Knoxville)

      Field of Science: Materials Research

1402. Conversion of acetic acid on single metal oxide and perovskite surfaces

      Ariana Beste (University of Tennessee, Knoxville)

      Field of Science: Chemistry

1403. POCA_CBMI

      Rishikesan Kamaleswaran (UTHSC)

      Field of Science: Information, Robotics, and Intelligent Systems

1404. Project exploring collaborations between NRAO and JICS

      Anthony Mezzacappa (University of Tennessee, Knoxville)

      Field of Science: Astronomical Sciences

1405. UTHSC-ORNL CBMI

      Arash Shaban-Nejad (University of Tennessee Health Science Center)

      Field of Science: Computer and Computation Research

1406. GeneNetwork big data backend processing

      Lonnie Crosby (University of Tennessee, Knoxville)

      Field of Science: Biological and Critical Systems

1407. 3D Genome Folding in Health and Disease

      Rachel McCord (University of Tennessee, Knoxville)

      Field of Science: Molecular Biosciences

1408. Accelerating the Calculation of Minimum Set of Viewpoints for Maximum Coverage over Digital Elevation Model Data by Hybrid Computer Architecture and Systems

      Xuan Shi (Georgia Tech)

      Field of Science: Computer and Computation Research

1409. 3M

      Tabitha Samuel (University of Tennessee, Knoxville)

      Field of Science: Advanced Scientific Computing

1410. Collaboration on Transitional Turbulence Models

      Robert Wilson (ORNL)

      Field of Science: Computer and Computation Research

1411. Sequencing Analysis for the JICS Hackathon

      Claire Simpson (University of Tennessee, Health Science Center)

      Field of Science: Integrative Biology and Neuroscience

1412. Metabolomics Analysis

      Lonnie Crosby (University of Tennessee, Knoxville)

      Field of Science: Biological and Critical Systems

1413. Exploring use of DTNs for fast access of flat files for the Hardwood Genomics database

      Margaret Staton (University of Tennessee, Knoxville)

      Field of Science: Biological and Critical Systems

1414. Integrative epigenomics of aging

      Khyobeni Mozhui (University of Tennessee Health Science Center)

      Field of Science: Biological and Critical Systems

1415. RNASeq Bioinformatics Short Course

      Margaret Staton (University of Tennessee, Knoxville)

      Field of Science: Educational

1416. UTHSC bioinformatics

      Panduka Nagahawatte (University of Tennessee Health Science Center)

      Field of Science: Computer and Computation Research

1417. Genome Assembly and Annotation - WIlliams 10X

      Colleen Jonsson (UTK-UTHSC)

      Field of Science: Molecular Biosciences

1418. UTHSC Campus Access

      Tabitha Samuel (University of Tennessee, Knoxville)

      Field of Science: Cross-Disciplinary Activities