• National Institute for Computational Sciences is a UT/ORNL Partnership

NICS Current Projects

  1. Exploration of downscaling global climate and chemistry models

    Joshua Fu (University of Tennessee, Knoxville)

    Field of Science: Atmospheric Sciences

  2. Multiscale modeling of dynamics of complex fluids

    Bamin Khomami (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  3. Coarse-grained Monte Carlo simulations

    Petr Plechac (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  4. UT Course (Data Structures and Algorithm Analysis)

    David Banks (University of Tennessee, Knoxville)

    Field of Science: Computer and Computation Research

  5. Large-scale ecological and phenotypic diversification models

    Sergey Gavrilets (University of Tennessee, Knoxville)

    Field of Science: Environmental Biology

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

    Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  7. Artificial DNAs

    Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

  8. 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

  9. Aqua: Simulating an Adiabatic Quantum Algorithm

    Jeffrey Vetter (ORNL)

    Field of Science: Advanced Scientific Computing

  10. Investigation of Performance Variability on Cray XT5

    Patrick Worley (ORNL)

    Field of Science: Computer and Computation Research

  11. 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

  12. SunFlo3DI - Scalable Unstructured Flow Solver

    Resat Payli (Indiana University-Purdue University, Indianapolis)

    Field of Science: Chemical, Thermal Systems

  13. Simulations of Supramolecular Biological Systems

    Klaus Schulten (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

  14. Campus Champion Account

    Vikram Gazula (University of Kentucky)

    Field of Science: Cross-Disciplinary Activities

  15. US Navy DSRC

    Lee Whatley (DoD HPCMP)

    Field of Science: Training

  16. Science Gateway for Arroyo AO code

    Roy Williams (California Institute of Technology)

    Field of Science: Astronomical Sciences

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

    Faisal Saied (Purdue University)

    Field of Science: Electrical and Communication Systems

  18. Framework for Performance Modeling and Prediction

    Allan Snavely (University of California-San Diego)

    Field of Science: Advanced Scientific Computing

  19. Multiscale Models for Biological Engineering

    Yiannis N. Kaznessis (University of Minnesota)

    Field of Science: Molecular Biosciences

  20. Scaling in Turbulence and Turbulent Mixing

    Pui-kuen Yeung (Georgia Institute of Technology)

    Field of Science: Chemical, Thermal Systems

  21. Quantum and Classical Simulations Applied to Biomolecular Systems

    Michael Klein (Temple University)

    Field of Science: Chemistry

  22. Adaptive Multiscale Simulations

    Kenneth Jansen (Rensselaer Polytechnic Institute)

    Field of Science: Advanced Scientific Computing

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

    Ming Xue (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  24. Atomic and Molecular Collision Dynamics using Petascale Computing Systems

    Francis Robicheaux (Auburn University)

    Field of Science: Physics

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

    Karl F. Freed (University of Chicago)

    Field of Science: Chemistry

  26. Computational Studies of RNA Recognition and Catalysis

    Maria Nagan (Truman State University)

    Field of Science: Chemistry

  27. Multiscale Modeling of Biomembranes

    Roland Faller (University of California-Davis)

    Field of Science: Molecular Biosciences

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

    Amy McGovern (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  29. Creating High Resolution Tornado Simulations for Spatiotemporal Data Mining

    Amy McGovern (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  30. High resolution simulations of tornadic vortices

    Amy McGovern (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  31. CSE 260/160 - Course in Parallel Computation

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

    Field of Science: Computer and Computation Research

  32. Macromolecular and Cell Simulations

    Thomas Kepler (Duke University)

    Field of Science: Molecular Biosciences

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

    Colin Morningstar (Carnegie Mellon University)

    Field of Science: Physics

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

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  35. Molecular Biophysics Simulations: Neutron Scattering and Bioenergy

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  36. Molecular Dynamics simulations

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  37. Molecular Biophysics Simulations: Neutron Scattering and Bioenergy

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  38. Large Suite of Dark Matter Simulations (LasDamas)

    Andreas Berlind (Vanderbilt University)

    Field of Science: Astronomical Sciences

  39. Molecular Dynamics Simulations of Semistructured Biomolecules

    Michael Colvin (University of California, Merced)

    Field of Science: Molecular Biosciences

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

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

    Field of Science: Astronomical Sciences

  41. Campus Champions program for University of Arkansas

    David Chaffin (University of Arkansas)

    Field of Science: Advanced Scientific Computing

  42. Molecular Dynamics of Carbon Nanotube Growth

    Boris Yakobson (Rice University)

    Field of Science: Materials Research

  43. Highly Parallel Parameter Estimation for Groundwater Flow

    Willem Schreuder (University of Colorado)

    Field of Science: Chemical, Thermal Systems

  44. Campus Champions program for the SIUC Computing Community

    Tonny Oyana (Southern Illinois University, Carbondale)

    Field of Science: Advanced Scientific Computing

  45. Campus Champios program for University of Michigan

    Brock Palen (University of Michigan)

    Field of Science: Training

  46. Campus Champions program for Auburn University Montgomery

    Luis Cueva-Parra (Auburn University)

    Field of Science: Chemical, Thermal Systems

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

    Byung-Ryool Hyun (Cornell University)

    Field of Science: Materials Research

  48. 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

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

    Venkatesan Renugopalakrishnan (Northeastern University)

    Field of Science: Chemistry

  50. SHORT-TERM CLIMATE SIMULATIONS USING THE CCSM

    Peter Gent (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

  51. Climate Modeling

    Peter Gent (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

  52. Direct Numerical Simulation of Particle-laden Turbulent Flows

    Lance Collins (Cornell University)

    Field of Science: Chemical, Thermal Systems

  53. Campus Champion for the University of Virginia

    Thomas Hall (University of Virginia)

    Field of Science: Advanced Scientific Computing

  54. Deformed QRPA with Energy-Density Functionals

    Jonathan Engel (University of North Carolina, Chapel Hill)

    Field of Science: Physics

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

    Julien Michel (Yale University)

    Field of Science: Chemistry

  56. 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

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

    Jim Pfaendtner (University of Washington)

    Field of Science: Molecular Biosciences

  58. Computational Biophysics: Advanced Techniques for Protein Folding

    Jim Pfaendtner (University of Washington)

    Field of Science: Molecular Biosciences

  59. Genome Analysis

    Zheng Liu (University of Texas at Austin)

    Field of Science: Biological and Critical Systems

  60. Computational investigation on diffusional mechanism in metallic glassess

    Yujie Wei (University of Alabama)

    Field of Science: Materials Research

  61. Ultrashort Intense Laser-Matter Interactions

    Suxing Hu (University of Rochester)

    Field of Science: Physics

  62. Atomistic simulations of carbon nanotubes entering cells

    Robert Hurt (Brown University)

    Field of Science: Molecular Biosciences

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

    Leung Tsang (University of Washington)

    Field of Science: Earth Sciences

  64. NICS National Education Award

    Phil Andrews (National Institute for Computational Sciences)

    Field of Science: Cross-Disciplinary Activities

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

    Ian Parrish (University of California-Berkeley)

    Field of Science: Astronomical Sciences

  66. computational studies on protein-ligand interactions

    Xiaoqin Huang (University of Kentucky)

    Field of Science: Chemistry

  67. Mantle Convection and Plate Tectonics Simulations using CitcomS

    Adrian Lenardic (Rice University)

    Field of Science: Earth Sciences

  68. 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

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

    Xiao Shen (Vanderbilt University)

    Field of Science: Materials Research

  70. Verification of the Goldbach Conjecture

    Tomas Silva (University of Aveiro)

    Field of Science: Mathematical Sciences

  71. Productivity from Open, INtegrated Tools (POINT)

    Raghurama Reddy (Pittsburgh Supercomputing Center)

    Field of Science: Microelectronic Information Processing Systems

  72. Computational analysis of Protein Complex Binding

    Lydia Kavraki (Rice University)

    Field of Science: Molecular Biosciences

  73. Porting Tenasi benchmarking code

    Lafayette Taylor (University of Tennessee, Chattanooga)

    Field of Science: Advanced Scientific Computing

  74. Computational studies on lignin model compounds

    Ariana Beste (ORNL)

    Field of Science: Chemistry

  75. Gordon Bell project - dedicated run

    Thomas Schulthess (ORNL)

    Field of Science: Computer and Computation Research

  76. Plasma Physics Simulations using VPIC

    Ben Bergen (Los Alamos National Laboratory)

    Field of Science: Physics

  77. Loosely-coupled programming for highly-parallel applications

    Michael Wilde (University of Chicago)

    Field of Science: Computer and Computation Research

  78. Newton program

    Gerald Ragghianti (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  79. Student Cluster Competition Preparation

    Ricky Kendall (ORNL)

    Field of Science: Chemistry

  80. Calculation of spontaneous fission process

    Andrzej Staszczak (University of Tennessee, Knoxville)

    Field of Science: Physics

  81. Modeling Studies of Nano and Biomolecular Systems

    Adrian Roitberg (University of Florida)

    Field of Science: Molecular Biosciences

  82. Modeling Studies of Nano and Biomolecular Systems

    Adrian Roitberg (University of Florida)

    Field of Science: Molecular Biosciences

  83. Large Scale Simulation of Membrane Channels and Transporters

    Emad Tajkhorshid (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

  84. Object Based Caching for MPI-IO

    Phillip Dickens (University of Maine)

    Field of Science: Networking and Communications Research

  85. 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

  86. Lattice Gauge Calculation of Hadronic Physics

    Keh-Fei Liu (University of Kentucky)

    Field of Science: Physics

  87. N-body simulations: Planets to Cosmology

    Thomas Quinn (University of Washington)

    Field of Science: Astronomical Sciences

  88. Simulation of Quantum Systems

    David M Ceperley (University of Illinois at Urbana-Champaign)

    Field of Science: Materials Research

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

    Michael C. Gurnis (California Institute of Technology)

    Field of Science: Earth Sciences

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

    Margaret Cheung (University of Houston)

    Field of Science: Molecular Biosciences

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

    Martin Maxey (Brown University)

    Field of Science: Chemical, Thermal Systems

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

    Artem Masunov (University of Central Florida)

    Field of Science: Chemistry

  93. Reciprocal BLAST Analysis of the UniProt Knowledgebase

    Cathy Wu (Georgetown University)

    Field of Science: Molecular Biosciences

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

    Thomas Huber (Rockefeller University)

    Field of Science: Molecular Biosciences

  95. Simulation Studies of clinically observed JAK2 mutations

    Taisung Lee (University of Minnesota, Twin Cities)

    Field of Science: Molecular Biosciences

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

    Peyman Givi (University of Pittsburgh)

    Field of Science: Chemical, Thermal Systems

  97. Campus Champions program for Earlham College

    Charles Peck (Earlham College)

    Field of Science: Cross-Disciplinary Activities

  98. Simulations of Cellulose I with multiple force fields

    James Matthews (National Renewable Energy Laboratory)

    Field of Science: Molecular Biosciences

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

    Nikolai Pogorelov (University of Alabama, Huntsville)

    Field of Science: Atmospheric Sciences

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

    Roland Schulz (Oak Ridge National Laboratory)

    Field of Science: Molecular Biosciences

  101. Computer Aided Analysis of Tunneling Field-Effect Transistors

    Mathieu Luisier (Purdue University)

    Field of Science: Physics

  102. Performance Analysis of OMEN

    Mathieu Luisier (Purdue University)

    Field of Science: Design and Manufacturing Systems

  103. Analysis

    Mathieu Luisier (Purdue University)

    Field of Science: Design and Manufacturing Systems

  104. High-Frequency Simulations of Global Seismic Wave Propagation

    Jeroen Tromp (Princeton University)

    Field of Science: Earth Sciences

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

    Samy Meroueh (Indiana University)

    Field of Science: Molecular Biosciences

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

    Klaus Bartschat (Drake University)

    Field of Science: Physics

  107. Understanding Charge and Ion Transport

    Xi Lin (Boston University)

    Field of Science: Materials Research

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

    Michael Bruck (University of Arizona)

    Field of Science: Chemistry

  109. Campus Champions program for Case Western Reserve University

    Roger Bielefeld (Case Western Reserve University)

    Field of Science: Training

  110. Campus Champion for Mississippi State University

    Trey Breckenridge (Mississippi State University)

    Field of Science: Advanced Scientific Computing

  111. Campus Champions program for Tulane University

    Hideki Fujioka (Tulane University)

    Field of Science: Training

  112. Reduced-order models for control of fluids

    Clarence Rowley (Princeton University)

    Field of Science: Chemical, Thermal Systems

  113. MILC code development

    Steven Gottlieb (University of Illinois at Urbana-Champaign)

    Field of Science: Physics

  114. Mass parameters for fissionig nuclei

    Andrzej Baran (University of Tennessee, Knoxville)

    Field of Science: Physics

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

    Yong Duan (University of California-Davis)

    Field of Science: Molecular Biosciences

  116. Molecular Dynamics Simulations of Dense Matter

    Charles J. Horowitz (Indiana University)

    Field of Science: Astronomical Sciences

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

    John Cobb (Oak Ridge National Laboratory)

    Field of Science: Materials Research

  118. Design of high affinity monomeric streptavidin by MD simulation

    Sheldon Park (SUNY at Buffalo)

    Field of Science: Molecular Biosciences

  119. Determining Functional Domains from Genomic Data Using Supercomputers

    Igor Jouline (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  120. Computational Genomics

    Igor Jouline (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  121. Application of PTMap2 for protein posttranslational modification analysis

    Yingming Zhao (University of Chicago)

    Field of Science: Molecular Biosciences

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

    Yingming Zhao (University of Chicago)

    Field of Science: Molecular Biosciences

  123. Lattice QCD Study of Hadronic Interactions

    Martin Savage (University of Washington)

    Field of Science: Physics

  124. 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

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

    Gregory A. Blaisdell (Purdue University)

    Field of Science: Advanced Scientific Computing

  126. Structure-Function Studies on Nuclear Hormone Receptors

    Elias Fernandez (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  127. Simulations of Binary Black Hole Systems

    Pablo Laguna (Georgia Institute of Technology)

    Field of Science: Physics

  128. Benchmarking OpenFOAM for sediment transport simulations

    Thomas A. Hauser (Utah State University)

    Field of Science: Advanced Scientific Computing

  129. Nuclear Structure Calculations

    Junchen Pei (University of Tennessee, Knoxville)

    Field of Science: Physics

  130. Genetic Network Inference from Massive Genomic Datasets

    Yan Cui (University of Tennessee, Memphis)

    Field of Science: Molecular Biosciences

  131. Hadron Scattering from Lattice QCD

    Konstantinos Orginos (College of William and Mary)

    Field of Science: Physics

  132. GridAMP: Asteroseismic Modeling Portal

    Matthew Woitaszek (National Center for Atmospheric Research)

    Field of Science: Cross-Disciplinary Activities

  133. 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 (Louisiana State University)

    Field of Science: Molecular Biosciences

  134. 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

  135. 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

  136. Multi-scale Modeling in Proton Exchange Membrane

    Stephen Paddison (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  137. Linked Environments for Atmospheric Discovery

    Suresh Marru (Indiana University)

    Field of Science: Atmospheric Sciences

  138. Calibration System Development

    Fanyou Kong (Atmospheric Technology Services Co)

    Field of Science: Atmospheric Sciences

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

    Peter Liaw (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  140. Fission Studies of Superheavy Nuclei

    Javid Sheikh (University of Tennessee, Knoxville)

    Field of Science: Physics

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

    Michael Langston (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  142. Development and Application of Advanced Molecular Dynamics Algorithms

    Ross Walker (University of California, San Diego)

    Field of Science: Molecular Biosciences

  143. Benchmarking and Testing of AMBER and CHARMM

    Ross Walker (University of California, San Diego)

    Field of Science: Molecular Biosciences

  144. Nuclear Structure Theory

    Thomas Papenbrock (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  145. NIMBioS

    Michael Vose (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

  146. UT Course CS594

    Jack Dongarra (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

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

    Jack Dongarra (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  148. Multiscale Materials Modeling

    David Keffer (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  149. DNA transport and sequencing through a quadrupole gate

    Predrag Krstic (ORNL)

    Field of Science: Molecular Biosciences

  150. Coupled-Cluster theory for nuclei

    Gaute Hagen (ORNL)

    Field of Science: Physics

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

    Nikolaos Malamataris (George Mason University)

    Field of Science: Chemical, Thermal Systems

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

    Nikolaos Malamataris (George Mason University)

    Field of Science: Chemical, Thermal Systems

  153. Center for Integrated Space Weather Modeling

    Jack Quinn (Boston University)

    Field of Science: Atmospheric Sciences

  154. Lattice Gauge Theory on MIMD Parallel Computers

    Robert Sugar (University of California-Santa Barbara)

    Field of Science: Physics

  155. Simulations of Biomolecular Systems and Proton Solvation and Transports

    Gregory A. Voth (University of Utah)

    Field of Science: Chemistry

  156. Biophysical Modeling and Simulation

    Gregory A. Voth (University of Utah)

    Field of Science: Molecular Biosciences

  157. Sequencing DNA using a nanopore

    Aleksei Aksimentiev (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

  158. Computational approach to complex and diverse biological systems

    Guillermina Estiu (University of Notre Dame)

    Field of Science: Chemistry

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

    Guillermina Estiu (University of Notre Dame)

    Field of Science: Chemistry

  160. SCEC Rupture Dynamics Code Validation

    Thomas H. Jordan (University of Southern California)

    Field of Science: Earth Sciences

  161. Astrophysical and Cosmological Structure Formation

    Michael Norman (University of California-San Diego)

    Field of Science: Astronomical Sciences

  162. Intermittency in Interstellar Turbulence

    Alexei Kritsuk (University of California-San Diego)

    Field of Science: Astronomical Sciences

  163. Modeling Physical and Mechanical Systems: Simulation and Control

    Suchuan Dong (Purdue University)

    Field of Science: Chemical, Thermal Systems

  164. Parallel Algorithms for Particulate Flows

    George Biros (Georgia Institute of Technology)

    Field of Science: Advanced Scientific Computing

  165. Accelerating Nano-scale Transistor Innovation through Petascale Simulation

    Gerhard Klimeck (Purdue University)

    Field of Science: Electrical and Communication Systems

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

    Thomas Cheatham (University of Utah)

    Field of Science: Cross-Disciplinary Activities

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

    Celso Mendes (University of Illinois at Urbana-Champaign)

    Field of Science: Advanced Scientific Computing

  168. Kinetic Dissipation of Astrophysical Plasma Turbulence

    Gregory Howes (University of Iowa)

    Field of Science: Physics

  169. Numerical Relativity and Black Hole Mergers

    Erik Schnetter (Louisiana State University)

    Field of Science: Physics

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

    Andriy Fedorov (Brigham and Womens Hospital)

    Field of Science: Advanced Scientific Computing

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

    Juri Toomre (University of Colorado)

    Field of Science: Astronomical Sciences

  172. Turbulent Solar and Stellar Convection and Magnetic Dynamos

    Juri Toomre (University of Colorado)

    Field of Science: Astronomical Sciences

  173. 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

  174. Large-scale atomistic simulations of materials

    Ivan Oleynik (University of South Florida)

    Field of Science: Materials Research

  175. HPC for the NEES network

    Lelli Van Den Einde (San Diego Supercomputer Center)

    Field of Science: Mechanical and Structural Systems

  176. Theoretical condensed-matter physics

    Marvin L. Cohen (University of California-Berkeley)

    Field of Science: Materials Research

  177. Enabling Breakthrough Kinetic Simulations of the Magnetosphere

    Homayoun Karimabadi (University of California-San Diego)

    Field of Science: Atmospheric Sciences

  178. Global Kinetic Simulations of the Magnetosphere

    Homayoun Karimabadi (University of California-San Diego)

    Field of Science: Atmospheric Sciences

  179. Simulations of Semiconductor Nanoparticles

    Giulia Galli (University of California-Davis)

    Field of Science: Materials Research

  180. Interaction of Ethene with Single Wall Carbon Nanotubes

    Daniel Lawson (University of Michigan, Dearborn)

    Field of Science: Chemistry

  181. Molecular Simulation of Membrane Receptors

    Cameron Abrams (Drexel University)

    Field of Science: Molecular Biosciences

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

    Luc Mongeau (Purdue University)

    Field of Science: Chemical, Thermal Systems

  183. ICMR summer school

    Francois Gygi (University of California-Davis)

    Field of Science: Molecular Biosciences

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

    Francois Gygi (University of California-Davis)

    Field of Science: Materials Research

  185. First-Principles Molecular Dynamics for Petascale Computers

    Francois Gygi (University of California-Davis)

    Field of Science: Advanced Scientific Computing

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

    Richard Loft (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

  187. The Role of Climate System Noise in Climate Variability

    James Kinter (Center for Ocean-Land-Atmosphere Studies)

    Field of Science: Atmospheric Sciences

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

    Christopher Wolverton (Northwestern University)

    Field of Science: Materials Research

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

    Christopher Wolverton (Northwestern University)

    Field of Science: Materials Research

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

    Christopher Wolverton (Northwestern University)

    Field of Science: Materials Research

  191. Campus Champions Program for the University of Virginia

    Katherine Holcomb (University of Virginia)

    Field of Science: Cross-Disciplinary Activities

  192. Simulations of Magnetized Relativistic Accretion Disks and Jets

    Ramesh Narayan (Harvard University)

    Field of Science: Astronomical Sciences

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

    Franz-Josef Ulm (Massachusetts Institute of Technology)

    Field of Science: Physics

  194. OSG->TG Gateway

    Neha Sharma (Fermi National Accelerator Laboratory)

    Field of Science: Advanced Scientific Computing

  195. 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

  196. Efficient Lattice Boltzmann Methods for Multiphase and Multicomponent Flows

    Li-Shi Luo (Old Dominion University)

    Field of Science: Mathematical Sciences

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

    Duane Rosenberg (National Center for Atmospheric Research)

    Field of Science: Advanced Scientific Computing

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

    Cristiana Stan (Center for Ocean-Land-Atmosphere Studies)

    Field of Science: Atmospheric Sciences

  199. Campus Champion for Penn State

    Jeffrey J. Nucciarone (Pennsylvania State University)

    Field of Science: Training

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

    Peter Cummings (Vanderbilt University)

    Field of Science: Materials Research

  201. Nonlinear Optical Interaction of Nanoparticles

    Scott Fraser (California Institute of Technology)

    Field of Science: Molecular Biosciences

  202. Benchmarking of PICMSS for CFD Simulation

    Kwai L. Wong (University of Tennessee, Knoxville)

    Field of Science: Mechanical and Structural Systems

  203. Free Energy Calculations of Protein Kinase Inhibitor Interactions

    Adrian Elcock (University of Iowa)

    Field of Science: Molecular Biosciences

  204. Campus Champions program for University of California Santa Barbara

    Stefan Boeriu (University of California-Santa Barbara)

    Field of Science: Advanced Scientific Computing

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

    Andrey G. Kalinichev (Michigan State University)

    Field of Science: Earth Sciences

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

    Huajian Gao (Brown University)

    Field of Science: Mechanical and Structural Systems

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

    Huajian Gao (Brown University)

    Field of Science: Mechanical and Structural Systems

  208. Porting and scalability evaluation of the Scalasca toolset

    Mahin Mahmoodi (Carnegie Mellon University)

    Field of Science: Advanced Scientific Computing

  209. Computational Studies of Complex Biological Systems

    Preston Benoni Moore (University of the Sciences in Philadelphia)

    Field of Science: Computer and Computation Research

  210. DNS of particle-laden turbulent flows

    Antonino Ferrante (University of Washington)

    Field of Science: Chemical, Thermal Systems

  211. DNS of spatially developing turbulent boundary layers

    Antonino Ferrante (University of Washington)

    Field of Science: Chemical, Thermal Systems

  212. Asteroseismic Modeling Portal (AMP)

    Travis Metcalfe (National Center for Atmospheric Research)

    Field of Science: Astronomical Sciences

  213. Performance Evaluation of NSF SDCI Applications using POINT

    Sameer Shende (University of Oregon)

    Field of Science: Advanced Scientific Computing

  214. Performance Evaluation Using the TAU Performance System

    Sameer Shende (University of Oregon)

    Field of Science: Advanced Scientific Computing

  215. Incorporation of pH Effects In Biochemical Simulation

    Jason Swails (University of Florida)

    Field of Science: Molecular Biosciences

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

    Jianwei Wang (University of Michigan)

    Field of Science: Materials Research

  217. Molecular Dynamics Simulation of Electroporation

    Xiaopeng Zhao (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  218. Mathematical Modeling of Heart Rhythm Disorders

    Xiaopeng Zhao (University of Tennessee, Knoxville)

    Field of Science: Biological and Critical Systems

  219. Efficient Algorithms and Software for Eigen-related Problems

    Yunkai Zhou (Southern Methodist University)

    Field of Science: Mathematical Sciences

  220. Protein Structure Modelling

    Yaohang Li (North Carolina A&T State University)

    Field of Science: Molecular Biosciences

  221. Toward Petascale Cosmology with GADGET

    Tiziana Di Matteo (Carnegie Mellon University)

    Field of Science: Astronomical Sciences

  222. Campus Champion for University of Kentucky

    Alan Dozier (University of Kentucky)

    Field of Science: Physics

  223. Petascale Simulation of Turbulent Mixing and Combustion in Stars

    Paul R. Woodward (University of Illinois at Urbana-Champaign)

    Field of Science: Astronomical Sciences

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

    Jerry Parks (Oak Ridge National Laboratory)

    Field of Science: Chemistry

  225. Developing Grid Aware Reservoir Simulation Tools and Technologies

    Yaakoub El Khamra (University of Texas at Austin)

    Field of Science: Design and Manufacturing Systems

  226. Calculation of Ultrasound Wave Propagation in Three Dimensions

    Robert Waag (University of Rochester)

    Field of Science: Mathematical Sciences

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

    Alexa Griesel (Scripps Institution of Oceanography)

    Field of Science: Ocean Sciences

  228. Numerical investigation of the noise radiated by supersonic jets

    Simon Mendez (Stanford University)

    Field of Science: Chemical, Thermal Systems

  229. 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

  230. Parallel Simulations of Blood Flow

    George E. Karniadakis (Brown University)

    Field of Science: Chemical, Thermal Systems

  231. 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

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

    David Bauer (MITRE)

    Field of Science: Computer and Computation Research

  233. Energy Density Functional With Density Dependent Coupling Constants

    Mario Stoitsov (University of Tennessee, Knoxville)

    Field of Science: Physics

  234. Theoretical studies of biological systems

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

    Field of Science: Molecular Biosciences

  235. Cray XT Cross-System Comparisons

    Kurt Carlson (University of Alaska (UAF))

    Field of Science: Computer and Computation Research

  236. 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

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

    Deborah Evans (University of New Mexico)

    Field of Science: Chemistry

  238. federal interagency benchmarking project

    Robert Maier (USACE ERDC)

    Field of Science: Computer and Computation Research

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

    Brian OShea (Michigan State University)

    Field of Science: Astronomical Sciences

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

    Krishnan Mahesh (University of Minnesota)

    Field of Science: Chemical, Thermal Systems

  241. Performance Modeling and Characterization (PMaC)

    Laura Carrington (University of California-San Diego)

    Field of Science: Advanced Scientific Computing

  242. Simulations of Biomolecular Structure and Dynamics

    Carlos Simmerling (SUNY at Stony Brook)

    Field of Science: Molecular Biosciences

  243. Instability, Turbulence, and Transport in Protoplanetary Disks

    Jeffrey Oishi (University of California-Berkeley)

    Field of Science: Astronomical Sciences

  244. Evolution of the Intergalactic Medium

    Renyue Cen (Princeton University)

    Field of Science: Astronomical Sciences

  245. Lattice Field Theory Simulations

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

    Field of Science: Physics

  246. Simulate the Diffuse Hot Gas in M31 Bulge

    Daniel Q. Wang (University of Massachusetts, Amherst)

    Field of Science: Astronomical Sciences

  247. Large Scale Molecular Dynamics Simulations of Geoliquids

    Frank Spera (University of California-Santa Barbara)

    Field of Science: Earth Sciences

  248. Structural Study of a DNA Adduct

    Suse Broyde (New York University)

    Field of Science: Molecular Biosciences

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

    Rajat Mittal (Johns Hopkins University)

    Field of Science: Chemical, Thermal Systems

  250. Simulating The Inner Magnetospheric Environment

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

    Field of Science: Atmospheric Sciences

  251. Molecular Modeling of Complex Biological Systems

    Clare McCabe (Vanderbilt University)

    Field of Science: Molecular Biosciences

  252. Simulations of Cardiac Fluid Dynamics

    Boyce Griffith (New York University)

    Field of Science: Integrative Biology and Neuroscience

  253. Simulations of Sequence-Specific DNA-Binding Proteins

    Arjan van der Vaart (Arizona State University)

    Field of Science: Molecular Biosciences

  254. Lattice Strong Dynamics at the TeV scale

    George Fleming (Yale University)

    Field of Science: Physics

  255. Unleashing CHIMERA: Multidimensional Supernova Simulations

    Bronson Messer (University of Tennessee, Knoxville)

    Field of Science: Astronomical Sciences

  256. Campus Champions-Clemson University

    James von Oehsen (Clemson University)

    Field of Science: Mathematical Sciences

  257. Campus Champions Program - Yale University

    Brian Dobbins (Yale University)

    Field of Science: Computer and Computation Research

  258. Coarse-Grain Models of Virus Assembly

    Stephen Harvey (Georgia Institute of Technology)

    Field of Science: Molecular Biosciences

  259. Campus Champions for OSU

    Dana Brunson (Oklahoma State University)

    Field of Science: Computer and Computation Research

  260. Campus Champion Program for Monmouth College

    Christopher Fasano (Monmouth College)

    Field of Science: Physics

  261. Pre-reactive complexes of hydroxyl radical

    Rudolf Burcl (Marshall University)

    Field of Science: Chemistry

  262. Dynamics and Contoral of Epidemics on Networks

    Marcel Salathe (Stanford University)

    Field of Science: Environmental Biology

  263. 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

  264. Campus Champions Program for Mississippi State University

    Roger Smith (Mississippi State University)

    Field of Science: Advanced Scientific Computing

  265. Stochastic Models of Fractured Dolomite Aquifers

    Douglas Walker (University of Illinois at Urbana-Champaign)

    Field of Science: Earth Sciences

  266. Supercell/Tornado Genesis, Structure and Evolution Studies

    Robert Wilhelmson (University of Illinois at Urbana-Champaign)

    Field of Science: Atmospheric Sciences

  267. Modeling thunderstorms and tornados

    Robert Wilhelmson (University of Illinois at Urbana-Champaign)

    Field of Science: Atmospheric Sciences

  268. Modeling of Coarsening in Solid Oxide Fuel Cell Electrodes

    Hui-Chia Yu (University of Michigan)

    Field of Science: Materials Research

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

    Martin Berzins (University of Utah)

    Field of Science: Advanced Scientific Computing

  270. Campus Champions program for University of Richmond

    Rene Kanters (University of Richmond)

    Field of Science: Training

  271. Quantum Monte Carlo Simulations

    Kenneth Jordan (University of Pittsburgh)

    Field of Science: Chemistry

  272. Molecular Dynamics Simulations of the 20S Proteasome

    Sue Travis (University of Iowa)

    Field of Science: Molecular Biosciences

  273. Biomolecular Simulations: Proteins and Bilayers

    Jeffry D. Madura (Duquesne University)

    Field of Science: Chemistry

  274. Benchmarking Weather Research and Forecasting (WRF) Model

    Donald Morton (Arctic Region Supercomputing Center)

    Field of Science: Computer and Computation Research

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

    David Collins (University of California-San Diego)

    Field of Science: Astronomical Sciences

  276. Magnetohydrodynamics of the solar interior

    Nicholas Brummell (University of California-Santa Cruz)

    Field of Science: Astronomical Sciences

  277. Supplemental allocation for Campus Champion

    Roger Moye (Rice University)

    Field of Science: Information, Robotics, and Intelligent Systems

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

    Jung-Hee Seo (Johns Hopkins University)

    Field of Science: Mathematical Sciences

  279. Campus Champions program for the University of Kentucky

    Qiyou Jiang (University of Kentucky)

    Field of Science: Computer and Computation Research

  280. Campus Champions Program for Purdue University

    Kim Dillman (Purdue University)

    Field of Science: Cross-Disciplinary Activities

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

    James Brasseur (Pennsylvania State University)

    Field of Science: Molecular Biosciences

  282. 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

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

    Julia Medvedeva (Missouri University of Science and Technology)

    Field of Science: Materials Research

  284. Scalable Performance Tools for Blue Waters.

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

    Field of Science: Advanced Scientific Computing

  285. ADIOS

    Scott Klasky (ORNL)

    Field of Science: Advanced Scientific Computing