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

NICS Current Projects

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

    Joel Saltz (Emory University)

    Field of Science: Cross-Disciplinary Activities

  2. Campus Champions for OSU

    Dana Brunson (Oklahoma State University)

    Field of Science: Computer and Computation Research

  3. Developing General Strategies for GPUbased Acceleration of Irregular Programs

    Martin Burtscher (Texas State University)

    Field of Science: Computer and Computation Research

  4. Instability, Turbulence, and Transport in Protoplanetary Disks

    Jeffrey Oishi (Stanford Linear Accelerator Center)

    Field of Science: Astronomical Sciences

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

    Joel Saltz (Emory University)

    Field of Science: Advanced Scientific Computing

  6. NOAA

    Christopher Kerr (Geophysical Fluid Dynamics Laboratory)

    Field of Science: Ocean Sciences

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

    Richard Loft (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

  8. Campus Champions Program for the University of Virginia

    Katherine Holcomb (University of Virginia)

    Field of Science: Cross-Disciplinary Activities

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

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

    Field of Science: Astronomical Sciences

  10. Scalable Performance Tools for Blue Waters.

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

    Field of Science: Advanced Scientific Computing

  11. Numerical investigation of the noise radiated by supersonic jets

    Simon Mendez (Stanford University)

    Field of Science: Chemical, Thermal Systems

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

    Martin Maxey (Brown University)

    Field of Science: Chemical, Thermal Systems

  13. Parallel Algorithms for Particulate Flows

    George Biros (University of Texas at Austin)

    Field of Science: Advanced Scientific Computing

  14. Performance Evaluation of NSF SDCI Applications using POINT

    Sameer Shende (University of Oregon)

    Field of Science: Advanced Scientific Computing

  15. Benchmarking OpenFOAM for sediment transport simulations

    Thomas A. Hauser (Northwestern University)

    Field of Science: Advanced Scientific Computing

  16. OSG->TG Gateway

    Neha Sharma (Fermi National Accelerator Laboratory)

    Field of Science: Advanced Scientific Computing

  17. DNS of particle-laden turbulent flows

    Antonino Ferrante (University of Washington)

    Field of Science: Chemical, Thermal Systems

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

    Ken-Ichi Nishikawa (University of Alabama, Huntsville)

    Field of Science: Astronomical Sciences

  19. Accelerated software development for large scale nuclear structure calculations

    Bhupender Thakur (Louisiana State Univrsity)

    Field of Science: Physics

  20. Porting and scalability evaluation of the Scalasca toolset

    Mahin Mahmoodi (Pittsburgh Supercomputing Center)

    Field of Science: Advanced Scientific Computing

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

    Andriy Fedorov (Brigham and Womens Hospital)

    Field of Science: Advanced Scientific Computing

  22. Campus Champion for the University of Virginia

    Thomas Hall (University of Virginia)

    Field of Science: Advanced Scientific Computing

  23. Campus Champions program for Marquette University

    Xizhou Feng (Marquette University)

    Field of Science: Advanced Scientific Computing

  24. Campus Champion for Marshall University

    Jack Smith (Marshall University)

    Field of Science: Advanced Scientific Computing

  25. 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

  26. Simulations of Magnetized Relativistic Accretion Disks and Jets

    Ramesh Narayan (Harvard University)

    Field of Science: Astronomical Sciences

  27. TeraGrid Campus Champion allocation for University of Washington

    Jeffrey Gardner (University of Washington)

    Field of Science: Training

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

    Anatoli Afanasjev (University of Tennessee Knoxville)

    Field of Science: Physics

  29. Science Gateway for Arroyo AO code

    Roy Williams (California Institute of Technology)

    Field of Science: Astronomical Sciences

  30. NUCCOR

    Gaute Hagen (ORNL)

    Field of Science: Physics

  31. GPUDG

    Timothy Warburton (Rice University)

    Field of Science: Advanced Scientific Computing

  32. Structure of Magnetized Accretion Disks

    Kristian Beckwith (University of Colorado)

    Field of Science: Astronomical Sciences

  33. Typologies of Immigrant Absorbing Destinations

    Stephanie Bohon (Center for the Study of Social Justice)

    Field of Science: Social and Economic Science

  34. 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

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

    Marta Filizola (Mount Sinai School of Medicine)

    Field of Science: Biological and Critical Systems

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

    Dmitry Pekurovsky (University of California-San Diego)

    Field of Science: Advanced Scientific Computing

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

    David Collins (University of California-San Diego)

    Field of Science: Astronomical Sciences

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

    Eric Hallman (Harvard University)

    Field of Science: Astronomical Sciences

  39. Hydrogel

    Seung Soon Jang (Georgia Institute of Technology)

    Field of Science: Molecular Biosciences

  40. 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

  41. Large Suite of Dark Matter Simulations (LasDamas)

    Andreas Berlind (Vanderbilt University)

    Field of Science: Astronomical Sciences

  42. Molecular Dynamics Simulations of Dense Matter

    Charles J. Horowitz (Indiana University)

    Field of Science: Astronomical Sciences

  43. Constrained Galaxy Formation & Evolution

    Emilio Romano-Diaz (University of Kentucky)

    Field of Science: Astronomical Sciences

  44. Performance Evaluation Using the TAU Performance System

    Sameer Shende (University of Oregon)

    Field of Science: Advanced Scientific Computing

  45. Problem Decomposition Research

    Richard Otero (Georgia Institute of Technology)

    Field of Science: Design and Manufacturing Systems

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

    John ZuHone (Harvard University)

    Field of Science: Astronomical Sciences

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

    Telemachos Mouschovias (University of Illinois at Urbana-Champaign)

    Field of Science: Astronomical Sciences

  48. 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

  49. 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

  50. The formation of the first stars in extreme environments

    Priyamvada Natarajan (Yale University)

    Field of Science: Astronomical Sciences

  51. Simulating The Inner Magnetospheric Environment

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

    Field of Science: Atmospheric Sciences

  52. 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

  53. 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

  54. Accelerated MD on GPUs

    Levi Pierce (Univeristy of California San Diego)

    Field of Science: Molecular Biosciences

  55. Ligand binding mechanism in the visual photoreceptor opsin

    Thomas Huber (Rockefeller University)

    Field of Science: Astronomical Sciences

  56. Space Radiation Estimation and Prediction on TeraGrid

    Liwen Shih (University of Houston-Clear Lake)

    Field of Science: Computer and Computation Research

  57. Creating High Resolution Tornado Simulations for Spatiotemporal Data Mining

    Amy McGovern (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  58. CAPS Spring Runs - 2010

    Ming Xue (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  59. The Fate of Double White Dwarf Binary Stars

    Patrick Motl (Indiana University Kokomo)

    Field of Science: Astronomical Sciences

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

    William Collins (Lawrence Berkeley National Laboratory)

    Field of Science: Atmospheric Sciences

  61. 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

  62. Linked Environments for Atmospheric Discovery

    Suresh Marru (Indiana University)

    Field of Science: Atmospheric Sciences

  63. Kinetic Simulations of Ionospheric Waves and Turbulence

    Meers Oppenheim (Boston University)

    Field of Science: Atmospheric Sciences

  64. Resolving ocean mesoscale eddies in climate change simulations

    Frank Bryan (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

  65. Preparing for Petascale Tornadic Thunderstorm Simulations On Blue Waters

    Leigh G. Orf (Central Michigan University)

    Field of Science: Atmospheric Sciences

  66. Kinetic Simulations of Collisional Ionospheric Waves and Turbulence

    Meers Oppenheim (Boston University)

    Field of Science: Atmospheric Sciences

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

    Matthew Gilmore (University of North Dakota)

    Field of Science: Atmospheric Sciences

  68. 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

  69. Campus Champions program for the University of Kentucky

    Qiyou Jiang (Rice University)

    Field of Science: Computer and Computation Research

  70. High Performance Data Analytics and Machine Learning Framework

    Dong Ryeol Lee (Georgia Institute of Technology)

    Field of Science: Computer and Computation Research

  71. Simulations of AGN Jets in Galaxy Clusters

    Brian Morsony (University of Wisconsin-Madison)

    Field of Science: Astronomical Sciences

  72. Climate System Noise in Climate Variability

    Cecilia Bitz (University of Washington)

    Field of Science: Atmospheric Sciences

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

    Michael Swisdak (University of Maryland, College Park)

    Field of Science: Atmospheric Sciences

  74. HPC for the NEES network

    Lelli Van Den Einde (San Diego Supercomputer Center)

    Field of Science: Mechanical and Structural Systems

  75. Mathematical Modeling of Heart Rhythm Disorders

    Xiaopeng Zhao (University of Tennessee, Knoxville)

    Field of Science: Biological and Critical Systems

  76. CSE 260/160 - Course in Parallel Computation

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

    Field of Science: Computer and Computation Research

  77. Loosely-coupled programming for highly-parallel applications

    Michael Wilde (Argonne National Laboratory)

    Field of Science: Computer and Computation Research

  78. Campus Champions Program - Yale University

    Brian Dobbins (Yale University)

    Field of Science: Computer and Computation Research

  79. Campus Champion for Lamar University

    Lawrence Osborne (Lamar University-Beaumont)

    Field of Science: Computer and Computation Research

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

    David Bauer (MITRE)

    Field of Science: Computer and Computation Research

  81. Benchmarking Weather Research and Forecasting (WRF) Model

    Donald Morton (University of Alaska, Fairbanks)

    Field of Science: Computer and Computation Research

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

    Yifeng Cui (University of California-San Diego)

    Field of Science: Computer and Computation Research

  83. Performance Analysis and Tuning for PTCLM Climate Modeling

    Haihang You (National Institute for Computational Sciences)

    Field of Science: Computer and Computation Research

  84. GPU-based Lossless High-speed Data Compression

    Martin Burtscher (Texas State University)

    Field of Science: Computer and Computation Research

  85. Campus Champion Account

    Vikram Gazula (University of Kentucky)

    Field of Science: Cross-Disciplinary Activities

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

    Anatoly Spitkovsky (Princeton University)

    Field of Science: Astronomical Sciences

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

    Donald Morton (University of Alaska, Fairbanks)

    Field of Science: Computer and Computation Research

  88. GridAMP: Asteroseismic Modeling Portal

    Matthew Woitaszek (National Center for Atmospheric Research)

    Field of Science: Cross-Disciplinary Activities

  89. Surface Adsorption on Terraces and Nanotubes

    Alain Phares (Villanova University)

    Field of Science: Chemistry

  90. Global Kinetic Simulations of the Magnetosphere

    Homayoun Karimabadi (University of California-San Diego)

    Field of Science: Atmospheric Sciences

  91. Campus Champion for University of Oklahoma

    Henry Neeman (University of Oklahoma)

    Field of Science: Cross-Disciplinary Activities

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

    Deborah Evans (University of New Mexico)

    Field of Science: Chemistry

  93. Pre-reactive complexes of hydroxyl radical

    Rudolf Burcl (Marshall University)

    Field of Science: Chemistry

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

    Guillermina Estiu (University of Notre Dame)

    Field of Science: Chemistry

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

    Venkatesan Renugopalakrishnan (Northeastern University)

    Field of Science: Chemistry

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

    Julien Michel (Yale University)

    Field of Science: Chemistry

  97. 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

  98. VampirTraceGPU

    Guido Juckeland (Technische Universitaet Dresden)

    Field of Science: Advanced Scientific Computing

  99. Computational Studies of Complex Biological Systems

    Preston Benoni Moore (University of the Sciences in Philadelphia)

    Field of Science: Computer and Computation Research

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

    Artem Masunov (University of Central Florida)

    Field of Science: Chemistry

  101. 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

  102. computational studies on protein-ligand interactions

    Xiaoqin Huang (University of Kentucky)

    Field of Science: Chemistry

  103. Interaction of aromatic molecules with metal surfaces

    Sampyo Hong (University of Central Florida)

    Field of Science: Chemistry

  104. 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

  105. Applications of Bis-peptide nanostructures

    Christian Schafmeister (Temple University)

    Field of Science: Chemistry

  106. COMPUTATIONAL STUDY OF SOOT FORMATION PROCESS IN COMBUSTION ENVIRONMENTS

    Hairong Tao (University of Michigan)

    Field of Science: Chemistry

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

    Mark Kobrak (CUNY Brooklyn College)

    Field of Science: Chemistry

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

    Edward Lyman (University of Delaware)

    Field of Science: Chemistry

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

    Benoit Roux (University of Chicago)

    Field of Science: Chemistry

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

    Peyman Givi (University of Pittsburgh)

    Field of Science: Chemical, Thermal Systems

  111. Molecular dynamics studies of nanofluidic systems

    Petr Kral (University of Illinois at Chicago)

    Field of Science: Chemistry

  112. Scalable Hierarchical Algorithms with Applications in Fluids and Biology

    Lorena Barba (Boston University)

    Field of Science: Advanced Scientific Computing

  113. Numerical Simulations of Dust Destruction in Supernova Remnants

    Devin Silvia (University of Colorado)

    Field of Science: Astronomical Sciences

  114. eaviv - Distributed visualization

    Andrei Hutanu (Louisiana State University)

    Field of Science: Computer and Computation Research

  115. 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

  116. CondorUSGS

    Kent Wenger (Condor Team)

    Field of Science: Earth Sciences

  117. Campus Champion for Mississippi State University

    Trey Breckenridge (Mississippi State University)

    Field of Science: Advanced Scientific Computing

  118. Campus Champions program for University of Arkansas

    David Chaffin (University of Arkansas)

    Field of Science: Advanced Scientific Computing

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

    Michael Zingale (SUNY at Stony Brook)

    Field of Science: Astronomical Sciences

  120. MULTISCALE SIMULATIONS OF ELECTROCHEMICAL SYSTEMS

    Narayana Aluru (University of Illinois at Urbana-Champaign)

    Field of Science: Cross-Disciplinary Activities

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

    Nikolaos Malamataris (George Mason University)

    Field of Science: Chemical, Thermal Systems

  122. SunFlo3DI - Scalable Unstructured Flow Solver

    Resat Payli (Indiana University-Purdue University, Indianapolis)

    Field of Science: Chemical, Thermal Systems

  123. Fully resolved simulation of self-propelling fish

    Neleesh Patankar (Northwestern University)

    Field of Science: Chemical, Thermal Systems

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

    Hong Im (University of Michigan)

    Field of Science: Chemical, Thermal Systems

  125. Introduction to Computational Science and Parallel Computing

    Lawrence Osborne (Lamar University-Beaumont)

    Field of Science: Advanced Scientific Computing

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

    Dong Xu (University of Missouri)

    Field of Science: Computer and Computation Research

  127. Graph Hyperbolicity and Treelike Structure

    Blair Sullivan (Oak Ridge National Laboratory)

    Field of Science: Mathematical Sciences

  128. Nonlinear aeroelastic effects for large deformation structures

    Paul Cizmas (Texas A&M University)

    Field of Science: Advanced Scientific Computing

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

    Perrine Pepiot (Cornell University)

    Field of Science: Advanced Scientific Computing

  130. SHORT-TERM CLIMATE SIMULATIONS USING THE CCSM

    Peter Gent (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

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

    Yann Tambouret (Boston University)

    Field of Science: Atmospheric Sciences

  132. Campus Champion Program

    Arun Datta (National University)

    Field of Science: Computer and Computation Research

  133. 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

  134. Campus Champions Program for Mississippi State University

    Roger Smith (Mississippi State University)

    Field of Science: Advanced Scientific Computing

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

    Wibe De Jong (Pacific Northwest National Laboratory)

    Field of Science: Chemistry

  136. Computational studies of iso-polyhalomethanes

    Scott Reid (Marquette University)

    Field of Science: Chemistry

  137. Predicting Kinetics Using Quantum Chemistry

    Linda Broadbelt (Northwestern University)

    Field of Science: Chemical, Thermal Systems

  138. DNS of spatially developing turbulent boundary layers

    Antonino Ferrante (University of Washington)

    Field of Science: Chemical, Thermal Systems

  139. Nanobiotechnology

    Predrag Krstic (Oak Ridge National Laboratory)

    Field of Science: Physics

  140. Campus Champions Program for Marquette University

    Craig Struble (Marquette University)

    Field of Science: Training

  141. Hydrodynamic Modeling of Control Surfaces/ Pectoral Fins

    Meliha Kavukcuoglu (Franklin Olin College of Engineering)

    Field of Science: Advanced Scientific Computing

  142. Environmental Impacts on White Nose Syndrome in Bats

    Thomas Hallam (University of Tennessee)

    Field of Science: Environmental Biology

  143. Code Porting

    Vikram Gazula (University of Kentucky)

    Field of Science: Educational

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

    Roger Blandford (Stanford University)

    Field of Science: Astronomical Sciences

  145. Active Flow Control for Wind Turbine Applications

    Andreas Gross (University of Arizona)

    Field of Science: Chemical, Thermal Systems

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

    Marcus Herrmann (Arizona State University)

    Field of Science: Chemical, Thermal Systems

  147. Portal Testing Account

    Jason Kastner (University of Illinois at Urbana-Champaign)

    Field of Science: Training

  148. Interaction of Ethene with Single Wall Carbon Nanotubes

    Daniel Lawson (University of Michigan, Dearborn)

    Field of Science: Chemistry

  149. Highly Parallel Parameter Estimation for Groundwater Flow

    Willem Schreuder (University of Colorado)

    Field of Science: Chemical, Thermal Systems

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

    Nikolaos Malamataris (George Mason University)

    Field of Science: Chemical, Thermal Systems

  151. Direct Numerical Simulation of Electrohydrodynamic Atomization

    Olivier Desjardins (Cornell University)

    Field of Science: Chemical, Thermal Systems

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

    Luc Mongeau (Purdue University)

    Field of Science: Chemical, Thermal Systems

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

    Rajat Mittal (Johns Hopkins University)

    Field of Science: Chemical, Thermal Systems

  154. Reduced-order models for control of fluids

    Clarence Rowley (Princeton University)

    Field of Science: Chemical, Thermal Systems

  155. Direct Numerical Simulation of Particle-laden Turbulent Flows

    Lance Collins (Cornell University)

    Field of Science: Chemical, Thermal Systems

  156. 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

  157. Multiphase flow modelling in chemical processes

    Krishnaswamy Nandakumar (Louisiana State University)

    Field of Science: Chemical, Thermal Systems

  158. Advanced Computational Techniques for Fire Suppression Systems

    Sophia Lefantzi (Sandia National Laboratories)

    Field of Science: Chemical, Thermal Systems

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

    Seth Lichter (Northwestern University)

    Field of Science: Chemical, Thermal Systems

  160. Simulations of turbulent mixing driven by strong shocks

    Praveen Ramaprabhu (University of North Carolina, Charlotte)

    Field of Science: Chemical, Thermal Systems

  161. Dense discrete phase fluid-particulate simulations using OpenMP

    Danesh Tafti (Virginia Polytechnic Institute and State University)

    Field of Science: Chemical, Thermal Systems

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

    Andrew Duggleby (Texas A&M University)

    Field of Science: Chemical, Thermal Systems

  163. Campus Champion for UNC Chapel Hill

    Mark Reed (University of North Carolina, Chapel Hill)

    Field of Science: Cross-Disciplinary Activities

  164. Large Eddy Simulation Investigations of Aviation Environmental Impacts

    Sanjiva Lele (Stanford University)

    Field of Science: Chemical, Thermal Systems

  165. MHD Simulations of AGN Jets in Galaxy Clusters

    Brian Morsony (University of Wisconsin-Madison)

    Field of Science: Astronomical Sciences

  166. Computational Studies of RNA Recognition and Catalysis

    Maria Nagan (Truman State University)

    Field of Science: Chemistry

  167. Computational Chemistry Method Development and Applications

    Angela Wilson (University of North Texas)

    Field of Science: Chemistry

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

    Prashant Jain (Oak Ridge National Laboratory)

    Field of Science: Chemical, Thermal Systems

  169. 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

  170. Social Informatics Data Grid

    Sarah Kenny (University of Chicago)

    Field of Science: Behavioral and Neural Sciences

  171. Developing Grid Aware Reservoir Simulation Tools and Technologies

    Yaakoub El Khamra (University of Texas at Austin)

    Field of Science: Design and Manufacturing Systems

  172. Performance Analysis of OMEN

    Mathieu Luisier (ETH Zurich)

    Field of Science: Design and Manufacturing Systems

  173. Dynamics and Contoral of Epidemics on Networks

    Marcel Salathe (Stanford University)

    Field of Science: Environmental Biology

  174. 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

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

    Julia Medvedeva (Missouri University of Science and Technology)

    Field of Science: Materials Research

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

    Christopher Wolverton (Northwestern University)

    Field of Science: Materials Research

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

    Jianwei Wang (University of Michigan)

    Field of Science: Materials Research

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

    Christopher Wolverton (Northwestern University)

    Field of Science: Materials Research

  179. Understanding Charge and Ion Transport

    Xi Lin (Boston University)

    Field of Science: Materials Research

  180. Molecular Dynamics of Carbon Nanotube Growth

    Boris Yakobson (Rice University)

    Field of Science: Materials Research

  181. Simulations of Strongly Correlated Systems

    Juana Moreno (Louisiana State University)

    Field of Science: Materials Research

  182. Realistic Simulation of Jet Engine Noise using Petaflop Computing

    Gregory A. Blaisdell (Purdue University)

    Field of Science: Chemical, Thermal Systems

  183. Computational investigation on diffusional mechanism in metallic glassess

    Yujie Wei (University of Alabama)

    Field of Science: Materials Research

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

    Christopher Wolverton (Northwestern University)

    Field of Science: Materials Research

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

    Byung-Ryool Hyun (Cornell University)

    Field of Science: Materials Research

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

    Peter Cummings (Vanderbilt University)

    Field of Science: Materials Research

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

    Francois Gygi (University of California-Davis)

    Field of Science: Materials Research

  188. Modeling of Coarsening in Solid Oxide Fuel Cell Electrodes

    Hui-Chia Yu (University of Michigan)

    Field of Science: Materials Research

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

    Xiao Shen (Vanderbilt University)

    Field of Science: Materials Research

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

    Kaushik Mitra (National Institute of Standards & Technology)

    Field of Science: Materials Research

  191. Computational Advanced Materials Endstation

    Jacek Jakowski (University of Tennessee, Knoxville)

    Field of Science: Materials Research

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

    Pabitra Choudhury (University of Pittsburgh)

    Field of Science: Materials Research

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

    Donald J. Siegel (University of Michigan)

    Field of Science: Materials Research

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

    Marisol Alcantara Ortigoza (University of Central Florida)

    Field of Science: Materials Research

  195. Crystal structure prediction

    Artem Oganov (SUNY at Stony Brook)

    Field of Science: Materials Research

  196. 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

  197. Design of multifunctional superlattices by interface engineering

    Xifan Wu (Temple University)

    Field of Science: Materials Research

  198. Stochastic Models of Fractured Dolomite Aquifers

    Douglas Walker (University of Illinois at Urbana-Champaign)

    Field of Science: Earth Sciences

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

    Yong Zeng (University of Missouri, Kansas City)

    Field of Science: Mathematical Sciences

  200. Campus Champions-Clemson University

    James von Oehsen (Clemson University)

    Field of Science: Mathematical Sciences

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

    Andrey Dobrynin (University of Connecticut)

    Field of Science: Materials Research

  202. Efficient Algorithms and Software for Eigen-related Problems

    Yunkai Zhou (Southern Methodist University)

    Field of Science: Mathematical Sciences

  203. Efficient Lattice Boltzmann Methods for Multiphase and Multicomponent Flows

    Li-Shi Luo (Old Dominion University)

    Field of Science: Mathematical Sciences

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

    Jung-Hee Seo (Johns Hopkins University)

    Field of Science: Mathematical Sciences

  205. Calculation of Ultrasound Wave Propagation in Three Dimensions

    Robert Waag (University of Rochester)

    Field of Science: Mathematical Sciences

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

    Abani Patra (SUNY at Buffalo)

    Field of Science: Mathematical Sciences

  207. Scaling spectral simulations on hybrid systems

    Benson Muite (University of Michigan)

    Field of Science: Mathematical Sciences

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

    Yunkai Zhou (Southern Methodist University)

    Field of Science: Mathematical Sciences

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

    Constantinos Evangelinos (Massachusetts Institute of Technology)

    Field of Science: Polar Programs

  210. Large Scale Molecular Dynamics Simulations of Geoliquids

    Frank Spera (University of California-Santa Barbara)

    Field of Science: Earth Sciences

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

    Michael C. Gurnis (California Institute of Technology)

    Field of Science: Earth Sciences

  212. The Evolution of Galaxy-Dark Matter Connection

    Jeremy Tinker (New York University)

    Field of Science: Astronomical Sciences

  213. Numerical Relativity and Black Hole Mergers

    Erik Schnetter (Louisiana State University)

    Field of Science: Physics

  214. High-Frequency Simulations of Global Seismic Wave Propagation

    Jeroen Tromp (Princeton University)

    Field of Science: Earth Sciences

  215. 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

  216. 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

  217. Mantle Convection and Plate Tectonics Simulations using CitcomS

    Adrian Lenardic (Rice University)

    Field of Science: Earth Sciences

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

    Burkhard Militzer (University of California-Berkeley)

    Field of Science: Earth Sciences

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

    Morgan Moschetti (US Geological Survey)

    Field of Science: Earth Sciences

  220. 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

  221. Hybrid MPI/OpenMP computing of dynamic earthquake ruptures

    Benchun Duan (Texas A&M University)

    Field of Science: Earth Sciences

  222. 3D seismic modeling and imaging via a massively parallel direct Helmholtz solver

    Maarten de Hoop (Purdue University)

    Field of Science: Earth Sciences

  223. Evolution of the Intergalactic Medium

    Renyue Cen (Princeton University)

    Field of Science: Astronomical Sciences

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

    Franz-Josef Ulm (Massachusetts Institute of Technology)

    Field of Science: Physics

  225. 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

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

    Faisal Saied (Purdue University)

    Field of Science: Electrical and Communication Systems

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

    William Martin (University of Michigan)

    Field of Science: Electrical and Communication Systems

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

    Jing Guo (University of Florida)

    Field of Science: Electrical and Communication Systems

  229. Simulations of Cardiac Fluid Dynamics

    Boyce Griffith (New York University)

    Field of Science: Integrative Biology and Neuroscience

  230. 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

  231. Neural Circuit Model for Decision Making Confidence

    Rudiger von der Heydt (Johns Hopkins University)

    Field of Science: Integrative Biology and Neuroscience

  232. 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

  233. Supplemental allocation for Campus Champion

    Roger Moye (Rice University)

    Field of Science: Information, Robotics, and Intelligent Systems

  234. 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

  235. Computational Micro and Nanophotonics

    Shanhui Fan (Stanford University)

    Field of Science: Electrical and Communication Systems

  236. Simulations of Semiconductor Nanoparticles

    Giulia Galli (University of California-Davis)

    Field of Science: Materials Research

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

    Ali Uzun (Florida State University)

    Field of Science: Advanced Scientific Computing

  238. Theoretical study of the few body problem

    Don Madison (Missouri University of Science and Technology)

    Field of Science: Physics

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

    Krishnan Mahesh (University of Minnesota)

    Field of Science: Chemical, Thermal Systems

  240. Intermittency in Interstellar Turbulence

    Alexei Kritsuk (University of California-San Diego)

    Field of Science: Astronomical Sciences

  241. Multiscale Models for Biological Engineering

    Yiannis N. Kaznessis (University of Minnesota)

    Field of Science: Molecular Biosciences

  242. Simulations of Supramolecular Biological Systems

    Klaus Schulten (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

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

    John Abraham (Purdue University)

    Field of Science: Chemical, Thermal Systems

  244. 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

  245. Lattice QCD Study of Hadronic Interactions

    Martin Savage (University of Washington)

    Field of Science: Physics

  246. Accelerating Nano-scale Transistor Innovation through Petascale Simulation

    Gerhard Klimeck (Purdue University)

    Field of Science: Electrical and Communication Systems

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

    Juri Toomre (University of Colorado)

    Field of Science: Astronomical Sciences

  248. Massively Parallel Geomorphology

    Chris Hill (M.I.T)

    Field of Science: Earth Sciences

  249. Simulation of Quantum Systems

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

    Field of Science: Materials Research

  250. Toward Petascale Cosmology with GADGET

    Tiziana Di Matteo (Carnegie Mellon University)

    Field of Science: Astronomical Sciences

  251. Parallel Simulations of Blood Flow

    George Karniadakis (Brown University)

    Field of Science: Chemical, Thermal Systems

  252. Quantum and Classical Simulations Applied to Biomolecular Systems

    Michael Klein (Temple University)

    Field of Science: Chemistry

  253. Computational MHD for Astrophysical Systems

    John Hawley (University of Virginia)

    Field of Science: Astronomical Sciences

  254. Supercell/Tornado Genesis, Structure and Evolution Studies

    Robert Wilhelmson (University of Illinois at Urbana-Champaign)

    Field of Science: Atmospheric Sciences

  255. NAMD Tuning and Support

    James Phillips (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

  256. Lattice Field Theory Simulations

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

    Field of Science: Physics

  257. Scaling in Turbulence and Turbulent Mixing

    Pui-kuen Yeung (Georgia Institute of Technology)

    Field of Science: Chemical, Thermal Systems

  258. Studies In Theoretical Astrophysics and General Relativity

    Stuart Shapiro (University of Illinois at Urbana-Champaign)

    Field of Science: Physics

  259. Biomolecular Simulations: Proteins and Bilayers

    Jeffry D. Madura (Duquesne University)

    Field of Science: Chemistry

  260. Simulations of Sequence-Specific DNA-Binding Proteins

    Arjan van der Vaart (University of South Florida)

    Field of Science: Molecular Biosciences

  261. Structural Study of a DNA Adduct

    Suse Broyde (New York University)

    Field of Science: Molecular Biosciences

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

    Thomas Huber (Rockefeller University)

    Field of Science: Molecular Biosciences

  263. Molecular Simulation of Membrane Receptors

    Cameron Abrams (Drexel University)

    Field of Science: Molecular Biosciences

  264. Multiscale Modeling of Biomembranes

    Roland Faller (University of California-Davis)

    Field of Science: Molecular Biosciences

  265. Molecular Mechanisms of Cadherin Dynamics and Sound Transduction

    David Corey (Harvard University)

    Field of Science: Molecular Biosciences

  266. Structure Based Design of Cell Penetrating Peptides

    Sandhya Kortagere (Drexel University)

    Field of Science: Molecular Biosciences

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

    Samy Meroueh (Indiana University)

    Field of Science: Molecular Biosciences

  268. Molecular Biophysics Simulations: Neutron Scattering and Bioenergy

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

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

    Margaret Cheung (University of Houston)

    Field of Science: Molecular Biosciences

  270. Molecular Dynamics Simulations of Semistructured Biomolecules

    Michael Colvin (University of California, Merced)

    Field of Science: Molecular Biosciences

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

    Karl F. Freed (University of Chicago)

    Field of Science: Chemistry

  272. Macromolecular and Cell Simulations

    Thomas Kepler (Duke University)

    Field of Science: Molecular Biosciences

  273. Molecular Modeling of Complex Biological Systems

    Clare McCabe (Vanderbilt University)

    Field of Science: Molecular Biosciences

  274. Reciprocal BLAST Analysis of the UniProt Knowledgebase

    Cathy Wu (Georgetown University)

    Field of Science: Molecular Biosciences

  275. Benchmarking and Testing of AMBER and CHARMM

    Ross Walker (University of California-San Diego)

    Field of Science: Molecular Biosciences

  276. Computational analysis of Protein Complex Binding

    Lydia Kavraki (Rice University)

    Field of Science: Molecular Biosciences

  277. Membrane proteins: from assembly to action

    Stephen White (University of California-Irvine)

    Field of Science: Molecular Biosciences

  278. Coarse-Grain Models of Virus Assembly

    Stephen Harvey (Georgia Institute of Technology)

    Field of Science: Molecular Biosciences

  279. Simulation Studies of clinically observed JAK2 mutations

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

    Field of Science: Molecular Biosciences

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

    Yingming Zhao (University of Chicago)

    Field of Science: Molecular Biosciences

  281. Free Energy Calculations of Protein Kinase Inhibitor Interactions

    Adrian Elcock (University of Iowa)

    Field of Science: Molecular Biosciences

  282. 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

  283. Computational Biophysics: Advanced Techniques for Protein Folding

    Jim Pfaendtner (University of Washington)

    Field of Science: Molecular Biosciences

  284. Simulations of Cellulose I with multiple force fields

    James Matthews (National Renewable Energy Laboratory)

    Field of Science: Molecular Biosciences

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

    James Brasseur (Pennsylvania State University)

    Field of Science: Molecular Biosciences

  286. Incorporation of pH Effects In Biochemical Simulation

    Jason Swails (University of Florida)

    Field of Science: Molecular Biosciences

  287. Nonlinear Optical Interaction of Nanoparticles

    Scott Fraser (California Institute of Technology)

    Field of Science: Molecular Biosciences

  288. Determining Functional Domains from Genomic Data Using Supercomputers

    Igor Jouline (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  289. Application of PTMap2 for protein posttranslational modification analysis

    Yingming Zhao (University of Chicago)

    Field of Science: Molecular Biosciences

  290. Design of high affinity monomeric streptavidin by MD simulation

    Sheldon Park (SUNY at Buffalo)

    Field of Science: Molecular Biosciences

  291. Molecular Dynamics Simulations of the 20S Proteasome

    Sue Travis (University of Iowa)

    Field of Science: Molecular Biosciences

  292. Atomistic simulations of carbon nanotubes entering cells

    Robert Hurt (Brown University)

    Field of Science: Molecular Biosciences

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

    Igor Pivkin (Massachusetts Institute of Technology)

    Field of Science: Molecular Biosciences

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

    Hyung Joon Kim (Carnegie Mellon University)

    Field of Science: Molecular Biosciences

  295. 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

  296. Molecular dynamics simulations of A-beta protein aggregation

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

    Field of Science: Molecular Biosciences

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

    Igor Pivkin (Massachusetts Institute of Technology)

    Field of Science: Molecular Biosciences

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

    James Brasseur (Pennsylvania State University)

    Field of Science: Molecular Biosciences

  299. Molecular Simulations of Transmembrane and Membrane-associated Proteins

    Jeffery Klauda (University of Maryland, College Park)

    Field of Science: Molecular Biosciences

  300. Atomistic Molecular Dynamics Studies of DNA Damage Recognition

    Arthi Jayaraman (University of Colorado)

    Field of Science: Molecular Biosciences

  301. Structure Prediction of G Protein-Coupled Receptors

    Ravinder Abrol (California Institute of Technology)

    Field of Science: Molecular Biosciences

  302. SAM Radical Proteins

    Catherine Drennan (Massachusetts Institute of Technology)

    Field of Science: Molecular Biosciences

  303. Brownian dynamics with hydrodynamic interactions

    Tamara Frembgen-Kesner (University of Iowa)

    Field of Science: Molecular Biosciences

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

    Srinivasa Rao Jampani (Drexel University)

    Field of Science: Molecular Biosciences

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

    Arthi Jayaraman (University of Colorado)

    Field of Science: Molecular Biosciences

  306. Fluorescent Proteins/Science Leaders

    Marc Zimmer (Connecticut College)

    Field of Science: Molecular Biosciences

  307. Campus Champion for West Virginia State University

    Joseph Domaschko (West Virginia State University)

    Field of Science: Information, Robotics, and Intelligent Systems

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

    Jhih-Wei Chu (University of California-Berkeley)

    Field of Science: Molecular Biosciences

  309. Computing the Thermodynamic Forces of Decomposing a Cellulose Microfibril

    Jhih-Wei Chu (University of California-Berkeley)

    Field of Science: Molecular Biosciences

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

    Ivet Bahar (University of Pittsburgh)

    Field of Science: Molecular Biosciences

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

    Michael Shirts (University of Virginia)

    Field of Science: Molecular Biosciences

  312. Simulations of Nuclear Pore Transport

    Ajay Gopinathan (University of California, Merced)

    Field of Science: Molecular Biosciences

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

    Ting Wang (University of California-Davis)

    Field of Science: Molecular Biosciences

  314. 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

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

    Lillian Chong (University of Pittsburgh)

    Field of Science: Molecular Biosciences

  316. 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

  317. Multiscale Models of Cellular Mechanotransduction

    Mohammad Mofrad (University of California-Berkeley)

    Field of Science: Molecular Biosciences

  318. 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

  319. Design and optimization of hemostatic peptides

    Thomas Cheatham (University of Utah)

    Field of Science: Molecular Biosciences

  320. Molecular Dynamics of Kinases and Membrane Transporters

    Robert Jernigan (Iowa State University)

    Field of Science: Molecular Biosciences

  321. Productivity from Open, INtegrated Tools (POINT)

    Raghurama Reddy (Pittsburgh Supercomputing Center)

    Field of Science: Microelectronic Information Processing Systems

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

    Huajian Gao (Brown University)

    Field of Science: Mechanical and Structural Systems

  323. Gravitational and Electromagnetic Dynamics around Black Holes

    Manuel Tiglio (University of Maryland, College Park)

    Field of Science: Physics

  324. Hybrid Particle Element Method for Impact Dynamics Simulation

    Eric Fahrenthold (University of Texas at Austin)

    Field of Science: Mechanical and Structural Systems

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

    Ravi Namani (Washington University in St. Louis)

    Field of Science: Mechanical and Structural Systems

  326. Thermal conductivity of carbon nanotubes with defects and junctions

    Haibin Chen (Carnegie Mellon University)

    Field of Science: Mechanical and Structural Systems

  327. Object Based Caching for MPI-IO

    Phillip Dickens (University of Maine)

    Field of Science: Networking and Communications Research

  328. Kinetic Dissipation of Astrophysical Plasma Turbulence

    Gregory Howes (University of Iowa)

    Field of Science: Physics

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

    Alexa Griesel (Scripps Institution of Oceanography)

    Field of Science: Ocean Sciences

  330. Horizontal Convection in High Rayleigh Number

    Mehmet Ilicak (Princeton University)

    Field of Science: Ocean Sciences

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

    Andrew Duggleby (Texas A&M University)

    Field of Science: Chemical, Thermal Systems

  332. Physics of Charm and Bottom Baryons

    William Detmold (College of William and Mary)

    Field of Science: Physics

  333. Atomic and Molecular Collision Dynamics using Petascale Computing Systems

    Francis Robicheaux (Auburn University)

    Field of Science: Physics

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

    Huajian Gao (Brown University)

    Field of Science: Mechanical and Structural Systems

  335. Campus Champion Program for Monmouth College

    Christopher Fasano (Monmouth College)

    Field of Science: Physics

  336. 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

  337. Scalability using OpenMP

    Sunita Chandrasekaran (University of Houston)

    Field of Science: Computer and Computation Research

  338. landscape configuration on forest insect outbreak dynamics

    Eric Carr (NIMBioS)

    Field of Science: Environmental Biology

  339. Ultrashort Intense Laser-Matter Interactions

    Suxing Hu (University of Rochester)

    Field of Science: Physics

  340. Deformed QRPA with Energy-Density Functionals

    Jonathan Engel (University of North Carolina, Chapel Hill)

    Field of Science: Physics

  341. Campus Champion for University of Kentucky

    Alan Dozier (University of Kentucky)

    Field of Science: Physics

  342. Probing Attosecond Electron-Correlation Dynamics in Atoms

    Suxing Hu (University of Rochester)

    Field of Science: Physics

  343. Campus Champion for Indiana University

    Scott Teige (Indiana University)

    Field of Science: Physics

  344. Computer Aided Analysis of Tunneling Field-Effect Transistors

    Mathieu Luisier (ETH Zurich)

    Field of Science: Physics

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

    Kalju Kahn (University of California-Santa Barbara)

    Field of Science: Physics

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

    Colin Morningstar (Carnegie Mellon University)

    Field of Science: Physics

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

    Christian Ott (California Institute of Technology)

    Field of Science: Physics

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

    Frans Pretorius (Princeton University)

    Field of Science: Physics

  349. 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

  350. Phonon Localization in Nanocomposite Materials

    Bruce White (SUNY at Binghamton)

    Field of Science: Physics

  351. 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

  352. Simulations of Eccentric Black Hole-Neutron Star Mergers

    Branson Stephens (Princeton University)

    Field of Science: Physics

  353. Numerical Relativity - Analytical Relativity Project Preparation

    Bernard Kelly (NASA Goddard Space Flight Center)

    Field of Science: Physics

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

    Pedro Marronetti (Florida Atlantic University)

    Field of Science: Physics

  355. High-Performance Scientific Computing

    Elizabeth R. Jessup (University of Colorado)

    Field of Science: Educational

  356. Campus Champions program for University of Pittsburgh

    Server Yilmaz (University of Pittsburgh)

    Field of Science: Educational

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

    Jean Marcel Ngoko Djiokap (University of Nebraska at Lincoln)

    Field of Science: Physics

  358. Campus Champion for U. S. Naval Academy

    Don Garner (US Naval Academy)

    Field of Science: Educational

  359. Campus Champions program for Case Western Reserve University

    Roger Bielefeld (Case Western Reserve University)

    Field of Science: Training

  360. Campus Champions program for Tulane University

    Hideki Fujioka (Tulane University)

    Field of Science: Training

  361. Campus Champion for South Dakota State University

    Shawn Duan (South Dakota State University)

    Field of Science: Training

  362. Campus Champions program for University of Richmond

    Rene Kanters (University of Richmond)

    Field of Science: Training

  363. Campus Champion

    Albert Everett (University of Arkansas, Little Rock)

    Field of Science: Training

  364. Campus Champion for Columbia University

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

    Field of Science: Training

  365. Campus Champion for RIT

    Gurcharan Khanna (Rochester Institute of Technology)

    Field of Science: Training

  366. Campus Champion for Howard University

    Marcus Alfred (Howard University)

    Field of Science: Training

  367. Campus Champion for Merrimack College

    David Toth (Merrimack College)

    Field of Science: Training

  368. Performance tools for HPC Systems

    John Mellor-Crummey (Rice University)

    Field of Science: Computer and Computation Research

  369. Campus Champion Startup Request

    Joshua Alexander (University of Oklahoma)

    Field of Science: Training

  370. Campus Champion for WV Higher Education Policy Commission

    Jonathan Caldwell (West Virginia Higher Education Policy Commission)

    Field of Science: Training

  371. Campus Champions for Kentcuky State University

    Chi Shen (Kentucky State University)

    Field of Science: Training

  372. Campus Champion for New York University

    Shenglong Wang (New York University)

    Field of Science: Training

  373. Calibration System Development

    Fanyou Kong (Atmospheric Technology Services Co)

    Field of Science: Atmospheric Sciences

  374. Climate Modeling

    Peter Gent (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

  375. Modeling Studies of Nano and Biomolecular Systems

    Adrian Roitberg (University of Florida)

    Field of Science: Molecular Biosciences

  376. MILC code development

    Steven Gottlieb (Indiana University)

    Field of Science: Physics

  377. Performance Modeling and Characterization (PMaC)

    Laura Carrington (University of California-San Diego)

    Field of Science: Advanced Scientific Computing

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

    Jack Dongarra (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  379. Large-scale ecological and phenotypic diversification models

    Sergey Gavrilets (University of Tennessee, Knoxville)

    Field of Science: Environmental Biology

  380. NIMBioS

    Michael Vose (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

  381. Biophysical Modeling and Simulation

    Gregory A. Voth (University of Chicago)

    Field of Science: Molecular Biosciences

  382. Computational studies on lignin model compounds

    Ariana Beste (ORNL)

    Field of Science: Chemistry

  383. Molecular Biophysics Simulations: Neutron Scattering and Bioenergy

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  384. Analysis

    Mathieu Luisier (ETH Zurich)

    Field of Science: Design and Manufacturing Systems

  385. Turbulent Solar and Stellar Convection and Magnetic Dynamos

    Juri Toomre (University of Colorado)

    Field of Science: Astronomical Sciences

  386. DNA transport and sequencing through a quadrupole gate

    Predrag Krstic (Oak Ridge National Laboratory)

    Field of Science: Molecular Biosciences

  387. Aqua: Simulating an Adiabatic Quantum Algorithm

    Jeffrey Vetter (Oak Ridge National Laboratory)

    Field of Science: Advanced Scientific Computing

  388. High resolution simulations of tornadic vortices

    Amy McGovern (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  389. Plasma Physics Simulations using VPIC

    Ben Bergen (Los Alamos National Laboratory)

    Field of Science: Physics

  390. 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

  391. Protein Structure Modelling

    Yaohang Li (North Carolina A&T State University)

    Field of Science: Molecular Biosciences

  392. Cray XT Cross-System Comparisons

    Kurt Carlson (University of Alaska (UAF))

    Field of Science: Computer and Computation Research

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

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

    Field of Science: Atmospheric Sciences

  394. federal interagency benchmarking project

    Robert Maier (USACE ERDC)

    Field of Science: Computer and Computation Research

  395. Genome Analysis

    Zheng Liu (University of Texas at Austin)

    Field of Science: Biological and Critical Systems

  396. US Navy DSRC

    Lee Whatley (DoD HPCMP)

    Field of Science: Training

  397. Quantum Monte Carlo Simulations

    Kenneth Jordan (University of Pittsburgh)

    Field of Science: Chemistry

  398. Student Cluster Competition Preparation

    Ricky Kendall (ORNL)

    Field of Science: Chemistry

  399. ADIOS

    Scott Klasky (ORNL)

    Field of Science: Advanced Scientific Computing

  400. Testing of STARCCM+ CFD Software

    Emilian Popov (ORNL)

    Field of Science: Advanced Scientific Computing

  401. CAPS Spring Run

    Ming Xue (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  402. Description of Weak Interactions by Density Functional Theory

    Alvaro Vazquez-Mayagoitia (University of Tennessee, Knoxville)

    Field of Science: Chemistry

  403. Atomistic Modeling of Hydrogen Storage in Nanostructured Carbons

    James Morris (Oak Ridge National Laboratory)

    Field of Science: Materials Research

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

    Jarod Younker (Oak Ridge Institute for Science and Education)

    Field of Science: Chemistry

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

    Ross Walker (University of California-San Diego)

    Field of Science: Molecular Biosciences

  406. Developing and Testing Systems Biology Toolbox

    Bhanu Rekepalli (National Institute for Computational Sciences)

    Field of Science: Advanced Scientific Computing

  407. Computational Genomics

    Igor Jouline (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  408. Multiscale Materials Modeling

    David Keffer (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  409. Porting Tenasi benchmarking code

    Lafayette Taylor (University of Tennessee, Chattanooga)

    Field of Science: Advanced Scientific Computing

  410. Molecular Dynamics simulations

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  411. Gordon Bell project - dedicated run

    Thomas Schulthess (ORNL)

    Field of Science: Computer and Computation Research

  412. Exploration of downscaling global climate and chemistry models

    Joshua Fu (University of Tennessee, Knoxville)

    Field of Science: Atmospheric Sciences

  413. Benchmarking of PICMSS for CFD Simulation

    Kwai L. Wong (University of Tennessee, Knoxville)

    Field of Science: Mechanical and Structural Systems

  414. Genetic Network Inference from Massive Genomic Datasets

    Yan Cui (University of Tennessee, Memphis)

    Field of Science: Molecular Biosciences

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

    Peter Liaw (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  416. Nuclear Structure Theory

    Thomas Papenbrock (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  417. Artificial DNAs

    Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

  418. Nuclear Structure Calculations

    Junchen Pei (University of Tennessee, Knoxville)

    Field of Science: Physics

  419. Fission Studies of Superheavy Nuclei

    Javid Sheikh (University of Tennessee, Knoxville)

    Field of Science: Physics

  420. Energy Density Functional With Density Dependent Coupling Constants

    Mario Stoitsov (University of Tennessee, Knoxville)

    Field of Science: Physics

  421. Multiscale modeling of dynamics of complex fluids

    Bamin Khomami (University of Tennessee, Knoxville)

    Field of Science: Materials Research

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

    Michael Langston (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  423. Coarse-grained Monte Carlo simulations

    Petr Plechac (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  424. Multi-scale Modeling in Proton Exchange Membrane

    Stephen Paddison (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  425. Coupled-Cluster theory for nuclei

    Gaute Hagen (ORNL)

    Field of Science: Physics

  426. Newton program

    Gerald Ragghianti (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  427. Investigation of Performance Variability on Cray XT5

    Patrick Worley (ORNL)

    Field of Science: Computer and Computation Research

  428. Calculation of spontaneous fission process

    Andrzej Staszczak (University of Tennessee, Knoxville)

    Field of Science: Physics

  429. Mass parameters for fissionig nuclei

    Andrzej Baran (University of Tennessee, Knoxville)

    Field of Science: Physics

  430. Molecular Dynamics Simulation of Electroporation

    Xiaopeng Zhao (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  431. Structure-Function Studies on Nuclear Hormone Receptors

    Elias Fernandez (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  432. Nuclear Structure Calculations for weakly bound nuclei

    George Papadimitriou (University of Tennessee, Knoxville)

    Field of Science: Physics

  433. Gain XT5 Experience

    Clare McCabe (Vanderbilt University)

    Field of Science: ----

  434. Optimization of the nuclear energy density functional

    Erno Kortelainen (University of Tennessee, Knoxville)

    Field of Science: Physics

  435. Freeprop

    James Sternberg (University of Tennessee, Knoxville)

    Field of Science: Physics

  436. 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

  437. Constraint of density functional theory from coupled cluster calculations

    Jason Holt (University of Tennessee, Knoxville)

    Field of Science: Physics

  438. Nautilus Group

    Sean Ahern (University of Tennessee, Oak Ridge)

    Field of Science: Cross-Disciplinary Activities

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

    Kwai L. Wong (University of Tennessee, Knoxville)

    Field of Science: Chemical, Thermal Systems

  440. Nimbios

    Lou Gross (University of Tennessee, Knoxville)

    Field of Science: Environmental Biology

  441. UT Course CS594

    Jack Dongarra (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

  442. UT Course (Data Structures and Algorithm Analysis)

    David Banks (University of Tennessee, Knoxville)

    Field of Science: Computer and Computation Research

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

    Roland Schulz (Oak Ridge National Laboratory)

    Field of Science: Molecular Biosciences

  444. ICMR summer school

    Francois Gygi (University of California-Davis)

    Field of Science: Molecular Biosciences

  445. Verification of the Goldbach Conjecture

    Tomas Silva (University of Aveiro)

    Field of Science: Mathematical Sciences

  446. CS 594 Spring 2010

    Heike Jagode (University of Tennessee, Knoxville)

    Field of Science: Computer and Computation Research

  447. Exploratory Research and Education with Kraken

    Gregory Peterson (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

  448. Simularions of the plasma-material interface

    Predrag Krstic (Oak Ridge National Laboratory)

    Field of Science: Physics

  449. Calculations of Atomic level stresses in disordered materilas

    Madhusudan Ojha (University of Tennessee, Knoxville)

    Field of Science: Physics

  450. Computational Science Modules & Education

    Angela Shiflet (Wofford College)

    Field of Science: Computer and Computation Research

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

    Shruba Gangopadhyay (University of Central Florida)

    Field of Science: Chemistry

  452. 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

  453. I/o optimizations

    Scott Klasky (ORNL)

    Field of Science: Advanced Scientific Computing

  454. NAMD research

    James Phillips (University of Illinois at Urbana-Champaign)

    Field of Science: Computer and Computation Research

  455. GPU computing with staggered quarks

    Steven Gottlieb (Indiana University)

    Field of Science: Physics

  456. NAMD research

    James Phillips (University of Illinois at Urbana-Champaign)

    Field of Science: Computer and Computation Research

  457. Porting Elliptical Solver to GPU

    John Helly ()

    Field of Science: Atmospheric Sciences

  458. High Performance Computing: tools and algorithms.

    Leopold Grinberg (Brown University)

    Field of Science: Mathematical Sciences

  459. 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

  460. Modeling thunderstorms and tornados

    Robert Wilhelmson (University of Illinois at Urbana-Champaign)

    Field of Science: Atmospheric Sciences

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

    Ian Parrish (University of California-Berkeley)

    Field of Science: Astronomical Sciences

  462. HMPP

    Yann MEVEL (CAPS entreprise)

    Field of Science: Computer and Computation Research

  463. Molecular simulations of supercritical fluids

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

    Field of Science: Chemical, Thermal Systems

  464. The Formation of Active Regions on the Sun

    Matthias Rempel (National Center for Atmospheric Research)

    Field of Science: Astronomical Sciences

  465. ACS Fellowship Investigating Carbon Nanotubes

    Christopher Von Bargen (University of Pennsylvania)

    Field of Science: Chemistry

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

    Michael Grady (University of Illinois at Urbana-Champaign)

    Field of Science: Training

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

    Hyung Joon Kim (Carnegie Mellon University)

    Field of Science: Molecular Biosciences

  468. 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

  469. High energy grazing collisions of black holes

    Ulrich Sperhake (California Institute of Technology)

    Field of Science: Physics

  470. 3D Core-collapse Supernova Simulations

    Adam Burrows (Princeton University)

    Field of Science: Astronomical Sciences

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

    Harold Scheraga (Cornell University)

    Field of Science: Molecular Biosciences

  472. Sequencing DNA using a nanopore

    Aleksei Aksimentiev (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

  473. Numerical methods for aeroacoustics and turbulence

    Fang Hu (Old Dominion University)

    Field of Science: Mathematical Sciences

  474. Modeling Physical and Mechanical Systems: Simulation and Control

    Suchuan Dong (Purdue University)

    Field of Science: Chemical, Thermal Systems

  475. 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

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

    Klaus Bartschat (Drake University)

    Field of Science: Physics

  477. Hadron Scattering from Lattice QCD

    Konstantinos Orginos (College of William and Mary)

    Field of Science: Physics

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

    Stephen Pope (Cornell University)

    Field of Science: Chemical, Thermal Systems

  479. First-Principles Molecular Dynamics for Petascale Computers

    Francois Gygi (University of California-Davis)

    Field of Science: Advanced Scientific Computing

  480. Development and Application of Advanced Molecular Dynamics Algorithms

    Ross Walker (University of California-San Diego)

    Field of Science: Molecular Biosciences

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

    Alexa Griesel (Scripps Institution of Oceanography)

    Field of Science: Ocean Sciences

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

    Nikolai Pogorelov (University of Alabama, Huntsville)

    Field of Science: Atmospheric Sciences

  483. 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

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

    Jim Pfaendtner (University of Washington)

    Field of Science: Molecular Biosciences

  485. Magnetohydrodynamics of the solar interior

    Nicholas Brummell (University of California-Santa Cruz)

    Field of Science: Astronomical Sciences

  486. Astrophysical and Cosmological Structure Formation

    Michael Norman (University of California-San Diego)

    Field of Science: Astronomical Sciences

  487. Petascale Simulation of Turbulent Mixing and Combustion in Stars

    Paul R. Woodward (University of Minnesota)

    Field of Science: Astronomical Sciences

  488. Large-scale atomistic simulations of materials

    Ivan Oleynik (University of South Florida)

    Field of Science: Materials Research

  489. Adaptive Multiscale Simulations

    Kenneth Jansen (University of Colorado)

    Field of Science: Advanced Scientific Computing

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

    Leonardo Ramirez-Guzman (US Geological Survey)

    Field of Science: Earth Sciences

  491. GPUaccelerated calculation of ligand binding affinities to biological macromolecules

    Michael Shirts (University of Virginia)

    Field of Science: Chemistry

  492. DNS Simulations of ReturntoIsotropy

    James Perot (University of Massachusetts, Amherst)

    Field of Science: Advanced Scientific Computing

  493. MantaVis

    Carson Brownlee (University of Utah)

    Field of Science: Computer and Computation Research

  494. BEAGLE

    Daniel Ayres (University of Maryland, College Park)

    Field of Science: Molecular Biosciences

  495. Qbox

    Francois Gygi (University of California-Davis)

    Field of Science: Advanced Scientific Computing

  496. Application Acceleration Center of Excellence

    Robert Brook (University of Tennessee, Oak Ridge)

    Field of Science: Computer and Computation Research

  497. EMRI waveforms computation accelerated by GPUs

    Gaurav Khanna (University of Massachusetts Dartmouth)

    Field of Science: Physics

  498. Multi-GPU Fundamentals

    John Owens (University of California, Davis)

    Field of Science: Computer and Computation Research

  499. Improved multi-GPU support in LAMMPS

    Axel Kohlmeyer (Temple University)

    Field of Science: Materials Research

  500. Cryptography with GPUs

    Richard Boyd (Georgia Tech Research Institute)

    Field of Science: Mathematical Sciences

  501. yber-Enabled Design of Functional Nanomaterials

    Christopher Iacovella (Vanderbilt University)

    Field of Science: Computer and Computation Research

  502. HyperFlow

    Claudio Silva (Polytechnic Institute of NYU)

    Field of Science: Computer and Computation Research

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

    Erik Saule (Ohio State University)

    Field of Science: Cross-Disciplinary Activities

  504. Enabling Physics Research at the Information Frontier Using GPUs

    Karen Tomko (Ohio State University)

    Field of Science: Physics

  505. MUSE: Multiscale Unified Simulation Environment

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

    Field of Science: Earth Sciences

  506. Large Data Visualization

    Kwan-Liu Ma (University of California, Davis)

    Field of Science: Computer and Computation Research

  507. Texas State University - Campus Champion

    Daniel Bylander (Texas State University)

    Field of Science: Training

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

    Michael Bruck (University of Arizona)

    Field of Science: Chemistry

  509. Campus Champion for University of Arkansas

    Jeff Pummill (University of Arkansas)

    Field of Science: Training

  510. HPC course and module development

    Angela Shiflet (Wofford College)

    Field of Science: Computer and Computation Research

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

    Jacek Jakowski (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  512. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

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

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

    Field of Science: Materials Research

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

    Brian OShea (Michigan State University)

    Field of Science: Astronomical Sciences

  515. 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

  516. Biomolecular Structure and Dynamics

    Carlos Simmerling (SUNY at Stony Brook)

    Field of Science: Chemistry

  517. BEAGLE

    Marc Suchard (University of California, Los Angeles)

    Field of Science: Mathematical Sciences

  518. Sequoia Programming Language

    Michael Bauer (Stanford University)

    Field of Science: Advanced Scientific Computing

  519. Ghoniem Group

    Tamer Crosby (University of California, Los Angeles)

    Field of Science: Mechanical and Structural Systems

  520. evolution of circumstellar disks

    Alice Quillen (University of Rochester)

    Field of Science: Astronomical Sciences

  521. SPECFEM3D Finiteelement seismic wave simulations

    Gordon Erlebacher (Florida State University)

    Field of Science: Computer and Computation Research

  522. QMC simulations

    Jeongnim Kim (University of Illinois at Urbana-Champaign)

    Field of Science: Physics

  523. Quantum State-to-State Reaction Dynamics

    Aron Kuppermann (California Institute of Technology)

    Field of Science: Chemistry

  524. Magnetic Reconnection

    Homayoun Karimabadi (University of California-San Diego)

    Field of Science: Physics

  525. Computing Conformational Change in Biomolecular Systems

    Thomas Woolf (Johns Hopkins University)

    Field of Science: Molecular Biosciences

  526. Campus Champion for the University of Oregon

    Sean Sharp (University of Oregon)

    Field of Science: Training

  527. Campus Champios program for University of Michigan

    Brock Palen (University of Michigan)

    Field of Science: Training

  528. HabaneroC Runtime System for Heterogeneous Cluster Computing

    Vivek Sarkar (Rice University)

    Field of Science: Computer and Computation Research

  529. AMBER evaluation on GPUs Hemostatic peptides and P450 modeling

    Thomas Cheatham (University of Utah)

    Field of Science: Molecular Biosciences

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

    Aiichiro Nakano (University of Southern California)

    Field of Science: Materials Research

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

    John Dennis (National Center for Atmospheric Research)

    Field of Science: Atmospheric Sciences

  532. Simulations of protein folding and assembly on surfaces

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

    Field of Science: Chemistry

  533. MFDnGPU

    Erik Saule (Ohio State University)

    Field of Science: Physics

  534. Regression Framework Database

    Lonnie Crosby (University of Tennessee, Oak Ridge)

    Field of Science: Computer and Computation Research

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

    Michela Taufer (University of Delaware)

    Field of Science: Chemistry

  536. DataCutter

    Umit V. Catalyurek (The Ohio State University)

    Field of Science: Computer and Computation Research

  537. GPU MapReduce for Volunteer Computing

    Feng Ji (North Carolina State University)

    Field of Science: Computer and Computation Research

  538. the PLASMA project

    Jack Dongarra (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  539. Campus Champions program for Earlham College

    Charles Peck (Earlham College)

    Field of Science: Cross-Disciplinary Activities

  540. porting and testing of DFTB dynamics to GPU

    Jacek Jakowski (University of Tennessee, Knoxville)

    Field of Science: Materials Research

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

    Randy Gentry (University of Tennessee)

    Field of Science: Earth Sciences

  542. Lattice BGK simulations

    Steven Orszag (Yale University)

    Field of Science: Advanced Scientific Computing

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

    Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

  544. FirstPrinciples Calculation on Impurity Diffusivities in Ferritic Iron

    Peter Liaw (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  545. PyLith Low Order FEM on GPUs

    Matthew Knepley (University of Chicago)

    Field of Science: Earth Sciences

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

    Clare McCabe (Vanderbilt University)

    Field of Science: Chemistry

  547. Parametric studies of SPH on the GPU

    Ian Johnson (Florida State University)

    Field of Science: Computer and Computation Research

  548. CorningMaterialsScience

    Leslie Button (Corning Incorporated)

    Field of Science: Materials Research

  549. CorningMaterialsScience

    Leslie Button (Corning Incorporated)

    Field of Science: Materials Research

  550. CorningMaterialsScience

    Leslie Button (Corning Incorporated)

    Field of Science: Materials Research

  551. CorningMaterialsScience

    Leslie Button (Corning Incorporated)

    Field of Science: Materials Research

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

    Thomas Cheatham (University of Utah)

    Field of Science: Cross-Disciplinary Activities

  553. NCCS staff

    Douglas Fuller (ORNL)

    Field of Science: Computer and Computation Research

  554. Campus Champions program for the SIUC Computing Community

    Tonny Oyana (Southern Illinois University, Carbondale)

    Field of Science: Advanced Scientific Computing

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

    Dorothee Kern (Brandeis University)

    Field of Science: Molecular Biosciences

  556. Graph Algorithms on GPUs

    Alex Pothen (Purdue University )

    Field of Science: Computer and Computation Research

  557. Nuclear Physics from Lattice QCD

    Andrei Alexandru (George Washington University)

    Field of Science: Physics

  558. SMART

    Xiaolin (Andy) Li (University of Florida)

    Field of Science: Computer and Computation Research

  559. Petascale Algorithms for Particulate Flows

    George Biros (University of Texas at Austin)

    Field of Science: Mathematical Sciences

  560. Insitu analysis and visualization

    Norbert Podhorszki (Oak Ridge National Laboratory)

    Field of Science: Computer and Computation Research

  561. Air quality impacts from southeast biomass burning

    Yun-Fat Lam (University of Tennessee, Knoxville)

    Field of Science: Atmospheric Sciences

  562. High Performance Computational Fluid Dynamics with GPU

    George Karniadakis (Brown University)

    Field of Science: Advanced Scientific Computing

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

    Axel Kohlmeyer (Temple University)

    Field of Science: Training

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

    Daniel Ernst (University of Wisconsin-Eau Claire)

    Field of Science: Computer and Computation Research

  565. 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

  566. A Residual Based Turbulence Model for Large Eddy Simulation

    Arif Masud (University of Illinois at Urbana-Champaign)

    Field of Science: Mathematical Sciences

  567. ALA

    Neil Gershenfeld (MIT)

    Field of Science: Computer and Computation Research

  568. Nbody Simulations of Star Clusters

    Aaron Geller (Northwestern University)

    Field of Science: Astronomical Sciences

  569. GPU Signal Processing

    Daniel Campbell (Georgia Tech Research Institute)

    Field of Science: Cross-Disciplinary Activities

  570. Stochastic Modeling and SImulation

    Roger Ghanem (University of Southern California)

    Field of Science: Advanced Scientific Computing

  571. Georgia Tech NSF ABI ONR HUNT

    Tucker Balch (Georgia Institute of Technology)

    Field of Science: Behavioral and Neural Sciences

  572. Turbulence simulations on GPUs

    Pui-kuen Yeung (Georgia Institute of Technology)

    Field of Science: Chemical, Thermal Systems

  573. Simulations of quantum solids

    Robert Hinde (University of Tennessee)

    Field of Science: Chemistry

  574. Computational approach to complex and diverse biological systems

    Guillermina Estiu (University of Notre Dame)

    Field of Science: Chemistry

  575. Semiflexible ProteinDNA Docking on GPU Platforms

    Bo Hong (Georgia Institute of Technology)

    Field of Science: Biological and Critical Systems

  576. Simulations of Black Hole Disk-Jet Connection

    Alexander Tchekhovskoy (Princeton University)

    Field of Science: Astronomical Sciences

  577. Campus Champions Program for Purdue University

    Kimberley Dillman (Purdue University)

    Field of Science: Cross-Disciplinary Activities

  578. Campus Champion for the University of Montana

    John Lucotch (University of Montana)

    Field of Science: Training

  579. Simulate the Diffuse Hot Gas in M31 Bulge

    Daniel Q. Wang (University of Massachusetts, Amherst)

    Field of Science: Astronomical Sciences

  580. Klonos A similaritybased tool for porting large scale applications

    Oscar Hernandez (Oak Ridge National Laboratory)

    Field of Science: Computer and Computation Research

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

    Liqiang Wang (University of Wyoming)

    Field of Science: Cross-Disciplinary Activities

  582. Automatic Performance Tuning of GPU Code

    Mary Hall (University of Utah)

    Field of Science: Computer and Computation Research

  583. ComputerAided NanoDesignNanoEngineeringNanoManufacturing

    Yan Wang (Georgia Institute of Technology)

    Field of Science: Design and Manufacturing Systems

  584. Echelon

    Jeffrey Vetter (Oak Ridge National Laboratory)

    Field of Science: Computer and Computation Research

  585. Campus Champions program for Auburn University Montgomery

    Luis Cueva-Parra (Auburn University)

    Field of Science: Chemical, Thermal Systems

  586. Theoretical studies of biological systems

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

    Field of Science: Molecular Biosciences

  587. Global Modeling of Earths Magnetosphere

    Joachim Raeder (University of New Hampshire)

    Field of Science: Atmospheric Sciences

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

    Antonino Ferrante (University of Washington)

    Field of Science: Chemical, Thermal Systems

  589. Molecular Dynamics Simulations of Crystallization in Astrophysical Plasmas

    Charles J. Horowitz (Indiana University)

    Field of Science: Astronomical Sciences

  590. Simulations of Molecular Clouds and Protoplanetary Disks

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

    Field of Science: Astronomical Sciences

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

    Bernard Pettitt (University of Texas Medical Branch)

    Field of Science: Chemistry

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

    Philip Pritchett (University of California-Los Angeles)

    Field of Science: Atmospheric Sciences

  593. Asteroseismic Modeling Portal (AMP)

    Travis Metcalfe (National Center for Atmospheric Research)

    Field of Science: Astronomical Sciences

  594. GROMACS Hybrid Molecular Dynamics

    Roland Schulz (Oak Ridge National Laboratory)

    Field of Science: Molecular Biosciences

  595. HPGEOC

    Yifeng Cui (University of California-San Diego)

    Field of Science: Earth Sciences

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

    Colin Morningstar (Carnegie Mellon University)

    Field of Science: Physics

  597. Unleashing CHIMERA: Multidimensional Supernova Simulations

    Bronson Messer (University of Tennessee, Knoxville)

    Field of Science: Astronomical Sciences

  598. Theoretical condensed-matter physics

    Marvin L. Cohen (University of California-Berkeley)

    Field of Science: Materials Research

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

    Leung Tsang (University of Washington)

    Field of Science: Earth Sciences

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

    Yong Duan (University of California-Davis)

    Field of Science: Molecular Biosciences

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

    Martin Berzins (University of Utah)

    Field of Science: Advanced Scientific Computing

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

    Pei Tang (University of Pittsburgh School of Medicine)

    Field of Science: Molecular Biosciences

  603. 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

  604. Simulations of Binary Black Hole Systems

    Pablo Laguna (Georgia Institute of Technology)

    Field of Science: Physics

  605. Hurricane Storm Surge Simulations on Petascale Computers

    Clinton Dawson (University of Texas at Austin)

    Field of Science: Mathematical Sciences

  606. Systematics of Nuclear Surface Vibrations in Deformed Nuclei

    Jonathan Engel (University of North Carolina, Chapel Hill)

    Field of Science: Physics

  607. Drugome Platform

    Justin Boyd (Chattanooga Research Institute)

    Field of Science: Molecular Biosciences

  608. Advanced Computational Science for High School Students

    Keith Jackson (Oak Ridge High School)

    Field of Science: Computer and Computation Research

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

    Amy McGovern (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  610. Campus Champions program for University of California Santa Barbara

    Stefan Boeriu (University of California-Santa Barbara)

    Field of Science: Advanced Scientific Computing

  611. 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

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

    Ehsan Khatami (Georgetown University)

    Field of Science: Materials Research

  613. Computational Mutagenesis Studies for Cancer Related Biomolecules

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

    Field of Science: Molecular Biosciences

  614. N-body simulations: Planets to Cosmology

    Thomas Quinn (University of Washington)

    Field of Science: Astronomical Sciences

  615. Lattice Gauge Calculation of Hadronic Physics

    Keh-Fei Liu (University of Kentucky)

    Field of Science: Physics

  616. Simulations of Biomolecular Structure and Dynamics

    Carlos Simmerling (SUNY at Stony Brook)

    Field of Science: Molecular Biosciences

  617. Modeling Studies of Nano and Biomolecular Systems

    Adrian Roitberg (University of Florida)

    Field of Science: Molecular Biosciences

  618. MULTI-SCALING AND ISOTROPY IN ROTATING TURBULENCE

    Annick Pouquet (National Center for Atmospheric Research)

    Field of Science: Physics

  619. Peter Kollman Graduate Award in Supercomputing

    Eleonora Gianti (University of the Sciences, Philadelphia)

    Field of Science: Computer and Computation Research

  620. Ab-initio Simulations of Materials Properties

    John D. Joannopoulos (Massachusetts Institute of Technology)

    Field of Science: Materials Research

  621. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  622. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  623. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  624. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  625. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  626. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  627. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  628. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  629. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  630. SmartTruck

    John Anastos (BMI Corporation)

    Field of Science: Design and Manufacturing Systems

  631. 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

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

    Thomas Hughes (Columbia University)

    Field of Science: Chemistry

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

    Balint Joo (Jefferson Laboratory)

    Field of Science: Physics

  634. Campus Champions program for Binghamton University

    James Wolf (SUNY at Binghamton)

    Field of Science: Training

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

    Khalid Alshibli (University of Tennessee)

    Field of Science: Earth Sciences

  636. Trading Volume in General Equilibrium with Complete Markets

    Eric Aldrich (Duke University)

    Field of Science: Social and Economic Science

  637. Resolving the Solution Structure of Photosystem I

    Paul Frymier (University of Tennessee)

    Field of Science: Molecular Biosciences

  638. Testing Universality in Block Copolymers

    Jens Glaser (University of Minnesota)

    Field of Science: Physics

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

    John Cobb (Oak Ridge National Laboratory)

    Field of Science: Materials Research

  640. Coronal Heating Reduced Magnetohydrodynamics via GPGPUs

    Liwei Lin (University of New Hampshire)

    Field of Science: Physics

  641. Framework for Performance Modeling and Prediction

    Allan Snavely (University of California-San Diego)

    Field of Science: Advanced Scientific Computing

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

    Celso Mendes (University of Illinois at Urbana-Champaign)

    Field of Science: Advanced Scientific Computing

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

    Carol Parish (University of Richmond)

    Field of Science: Chemistry

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

    Robert Elder (University of Colorado)

    Field of Science: Molecular Biosciences

  645. NICS National Education Award

    Mark Fahey (University of Tennessee, Knoxville)

    Field of Science: Cross-Disciplinary Activities

  646. a CUDA study

    Feng Chen (Purdue University, West Lafayette)

    Field of Science: Mathematical Sciences

  647. High Performance and Scalable MPI with GPU Support

    Dhabaleswar Panda (The Ohio State University)

    Field of Science: Computer and Computation Research

  648. Quantum Molecular Dynamics on GPUs

    Marc Cawkwell (Los Alamos National Laboratory)

    Field of Science: Advanced Scientific Computing

  649. Enabling Neutron Science Research

    John Cobb (Oak Ridge National Laboratory)

    Field of Science: Materials Research

  650. DPLASMA

    George Bosilca (University of Tennessee, Knoxville)

    Field of Science: Advanced Scientific Computing

  651. QCD with Four Flavors of Highly Improved Staggered Quarks

    Robert Sugar (University of California-Santa Barbara)

    Field of Science: Physics

  652. Simulations of Biomolecular Systems and Proton Solvation and Transports

    Gregory A. Voth (University of Chicago)

    Field of Science: Chemistry

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

    George Karniadakis (Brown University)

    Field of Science: Chemical, Thermal Systems

  654. Computational studies of complex processes in biological macromolecular systems

    Benoit Roux (University of Chicago)

    Field of Science: Molecular Biosciences

  655. Cerberus

    Jeff Hammond (Argonne National Laboratory)

    Field of Science: Chemistry

  656. Visualization and Dynamics of Massive GenotypicPhenotypic Networks

    Amir Assadi (University of Wisconsin)

    Field of Science: Cross-Disciplinary Activities

  657. TGMCB110083

    Olgun Guvench (University of New England)

    Field of Science: Molecular Biosciences

  658. 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

  659. Campus Champion for Penn State

    Jeffrey J. Nucciarone (Pennsylvania State University)

    Field of Science: Training

  660. CDC RD

    Christopher Lynberg (Centers for Disease Control)

    Field of Science: Advanced Scientific Computing

  661. Microscopic Theory of Nuclear Fission

    Jordan McDonnell (University of Tennessee, Knoxville)

    Field of Science: Physics

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

    Gregory A. Blaisdell (Purdue University)

    Field of Science: Advanced Scientific Computing

  663. 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

  664. Center for Integrated Space Weather Modeling

    Jack Quinn (Boston University)

    Field of Science: Atmospheric Sciences

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

    Jeremy Smith (University of Tennessee, Knoxville)

    Field of Science: Molecular Biosciences

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

    Balakrishnan Naduvalath (University of Nevada-Las Vegas)

    Field of Science: Chemistry

  667. Numerical Relativity / Analytical Relativity Collaboration

    Erik Schnetter (Louisiana State University)

    Field of Science: Astronomical Sciences

  668. The Role of Climate System Noise in Climate Variability

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

    Field of Science: Atmospheric Sciences

  669. MLS

    Jacques Pienaar (Purdue)

    Field of Science: Computer and Computation Research

  670. Project Athena Climate Data Analysis and Visualization

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

    Field of Science: Atmospheric Sciences

  671. Physicsbased protein structure refinement

    Justin MacCallum (SUNY Stony Brook)

    Field of Science: Molecular Biosciences

  672. Visualization and Dynamics of Massive GenotypicPhenotypic Networks

    Amir Assadi (University of Wisconsin)

    Field of Science: Cross-Disciplinary Activities

  673. Structure and reactions of nuclei using complex scaling

    Andras Kruppa (The University of Tennessee)

    Field of Science: Physics

  674. Pilot study on interpolation and raster calculation via keeneland

    Xuan Shi (Georgia Tech)

    Field of Science: Advanced Scientific Computing

  675. Campus Champion for University of South Carolina

    Jerry Ebalunode (University of South Carolina)

    Field of Science: Training

  676. Computational Study of Earth and Planetary Materials

    Ronald E. Cohen (Carnegie Institution of Washington)

    Field of Science: Earth Sciences

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

    Gregg Beckham (National Renewable Energy Laboratory)

    Field of Science: Molecular Biosciences

  678. 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

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

    Ming Xue (University of Oklahoma)

    Field of Science: Atmospheric Sciences

  680. Large Scale Simulation of Membrane Channels and Transporters

    Emad Tajkhorshid (University of Illinois at Urbana-Champaign)

    Field of Science: Molecular Biosciences

  681. Enabling Breakthrough Kinetic Simulations of the Magnetosphere

    Homayoun Karimabadi (University of California-San Diego)

    Field of Science: Atmospheric Sciences

  682. Campus Champion for Swarthmore College

    Andrew Ruether (Swarthmore College)

    Field of Science: Training

  683. 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

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

    Rodrigo Romero (University of Texas at El Paso)

    Field of Science: Mathematical Sciences

  685. SCEC Rupture Dynamics Code Validation

    Thomas Jordan (University of Southern California)

    Field of Science: Earth Sciences

  686. Multiscale Modeling of Carbon-Based Nanomaterials

    Boris Yakobson (Rice University)

    Field of Science: Materials Research

  687. Lattice Strong Dynamics at the TeV scale

    George Fleming (Yale University)

    Field of Science: Physics

  688. Ab Initio Molecular Dynamics of Proteins

    Todd Martinez (Stanford University)

    Field of Science: Chemistry

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

    Jerry Parks (Oak Ridge National Laboratory)

    Field of Science: Chemistry

  690. UTCORNING4

    Leslie Button (Corning Incorporated)

    Field of Science: Materials Research

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

    Jianwei Wang (University of Michigan)

    Field of Science: Materials Research

  692. Lattice Gauge Theory on MIMD Parallel Computers

    Robert Sugar (University of California-Santa Barbara)

    Field of Science: Physics

  693. HFIR LEU Conversion

    James Freels (ORNL)

    Field of Science: Mechanical and Structural Systems

  694. Duke GPU computing tests

    Tom Milledge (Duke University)

    Field of Science: Cross-Disciplinary Activities

  695. Understanding cellulose and cellulosedegrading enzymes for biofuels applications

    Gregg Beckham (National Renewable Energy Laboratory)

    Field of Science: Molecular Biosciences

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

    Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

    Field of Science: Materials Research

  697. Migrating the Uintah Software to CPUGPU Architectures

    Martin Berzins (University of Utah)

    Field of Science: Advanced Scientific Computing

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

    Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)

    Field of Science: Physics

  699. Insilico mutagenesis of betahairpin protein folding

    Jesus A. Izaguirre (University of Notre Dame)

    Field of Science: Cross-Disciplinary Activities

  700. TGMCB090159 Understanding cellulose and cellulosedegrading enzymes for biofuels applications

    Gregg Beckham (National Renewable Energy Laboratory)

    Field of Science: Molecular Biosciences

  701. SALAMI

    John Downie (University of Illinois at Urbana-Champaign)

    Field of Science: Humanities

  702. UT Computational Chemistry

    Robert Harrison (UT/ORNL)

    Field of Science: Chemistry

  703. Comprehensive reaction mechanism generation for hydrocarbon fuels

    Ramanan Sankaran (Oak Ridge National Laboratory)

    Field of Science: Chemistry

  704. Shuomas Project

    Shuo Ma (San Diego State University)

    Field of Science: Earth Sciences

  705. Relating Genotypes to Phenotypes in Complex Environments

    Peter Bailey (University of Arizona)

    Field of Science: Molecular Biosciences

  706. 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