NRAC Awards for quarter 2, 1999 (4/1/1999 - 6/30/1999)
Farid Abraham, IBM/Almaden Research Center
Ab Initio Dynamics of Materials Failure
SDSC SP: 20,000
James Adams, Arizona State University Main
Atomistic Computer Simulation of Materials
NCSA Origin2000: 2,550
Kim Baldridge, San Diego Supercomputer Center
Novel Bonding and Chemical Dynamics in Organic Structures
NCSA Origin2000: 10,000
SDSC SP: 12,000
SDSC T90: 700
Antony Beris, University of Delaware
Direct Numerical Simulation of Newtonian and Viscoelastic Turbulent Flows
NCSA Origin2000: 110,000
Jerzy Bernholc, North Carolina State University at Raleigh
Quantum Molecular Dynamics Simulations of Growth of Semiconductors and Nanotubes
NCSA Origin2000: 15,000
SDSC T3E: 20,000
SDSC T90: 90
H Neal Bertram, University of California-San Diego
Fundamental Physics of High Density Magnetic Recording
IBM SP at U Michigan: 20,000
SDSC T90: 2,580
Texas T3E: 28,200
David Beveridge, Wesleyan University
Molecular Dynamics Simulations of Dna
NCSA Origin2000: 25,000
Charles Brooks, Scripps Clinic & Research Fdn
Theoretical Studies of Peptide and Protein Dynamics and Thermodynamics Via Computer Simulation
SDSC T3E: 50,000
SDSC T90: 625
David Ceperley, Natl Center for Supercomputing App
Simulations of Quantum Systems
NCSA Exemplar: 26,000
NCSA Origin2000: 73,000
SDSC T90: 513
Kyeongjae Cho, Stanford University
Nonoscale Materials Simulations
NCSA Origin2000: 3,000
SDSC SP: 5,000
SDSC T3E: 15,000
SDSC T90: 540
Marvin Cohen, University of California-Berkeley
Theoretical Solid State Physics
NCSA Origin2000: 105,000
SDSC T3E: 29,500
SDSC T90: 1,100
Kelvin Droegemeier, University of Oklahoma, All Campuses
Center for Analysis and Prediction of Storms
NCSA Origin2000: 50,000
SDSC T90: 500
Arthur Freeman, Northwestern Univ
First Principles Determination of Magnetism, Magnetocrystalline Aniostropy, Magnetostriction and Magneto-Optics for Magnetic Thin Films, Superlattices and Alloys
NCSA Origin2000: 60,000
SDSC T90: 1,000
David Freeman, University of Rhode Island
Insuring Ergodic Sampling With Parallel J-Walking
NM SP: 30,000
Richard Friesner, Columbia University in the City of New York
Computational Modeling of Biological Systems
NCSA Origin2000: 105,000
Alan Garfinkel, University of California-Los Angeles
3d Simulations of Cardiac Arrhythmias
SDSC SP: 60,000
Mark Gordon, Iowa State University
Ground and Excited State Proton Transfer Reactions
Texas T3E: 35,000
Keith Gubbins, North Carolina State University at Raleigh
Molecular Simulation of Fluid Behavior in Narrow Pores and Pore Networks
SDSC SP: 25,000
SDSC T3E: 35,000
Texas T3E: 15,000
Parvez Guzdar, University of Maryland at College Park
Meso Scale Plasma Structuring Mechanisms in the High Latitude Ionosphere
SDSC T90: 1,200
Peter Hauschildt, University of Georgia
Non-Standard Stellar Atmospheres
SDSC SP: 100,000
John Hawley, University of Virginia, All Campuses
Computational Magnetohydrodynamics for Astrophysical Systems
NCSA Origin2000: 30,000
SDSC T3E: 10,000
SDSC T90: 400
Lars Hernquist, University of California-Santa Cruz
Formation of Galaxies and Large Scale Structures
Boston Origin2000: 12,500
NCSA Exemplar: 5,100
NCSA Origin2000: 25,000
SDSC T3E: 50,000
SDSC T90: 250
Kendall Houk, University of California-Los Angeles
Organic Reactivity, Biological Catalysts, Asymmetric Organic Reactions, and Carceplexes
NCSA Exemplar: 52,324
Chi-Yu Hu, California State University-Long Beach
Multichannel Scattering Cross Sections Via the Faddeev Equations
SDSC SP: 5,000
SDSC T90: 3,800
John Joannopoulos, Massachusetts Institute of Technology
Ab-Initio Simulations of Materials Properties
NCSA Origin2000: 80,900
SDSC T3E: 42,300
SDSC T90: 3,920
Lars Jonsson, Ohio State University, All Campuses
Real-Time Dynamics of Correlated Electron Systems
NCSA Origin2000: 60,000
Keith Julien, University of Colorado, All Campuses
Penetrative Dynamics of the Solar Interior
SDSC T3E: 10,000
George Karniadakis, Brown University
Dynamic Flow Simulations
NCSA Origin2000: 175,000
SDSC SP: 2,000
John Ketterson, Northwestern Univ
Strained and Unstrained Bi(1-X)Sb(X) Superlattice Thermoelectrics
SDSC T90: 3,060
Ioannis Kevrekidis, Princeton University
Mechanical Property Development and Stress Induced Defect Formation During Transport in Polymer Networks
SDSC T90: 100
Jeongnim Kim, Ohio State University, All Campuses
Dynamical Simulations of Large-Scale Defects and Surfaces
NCSA Origin2000: 35,000
John Kim, University of California-Los Angeles
A Numerical Study of Turbulent Boundary Layers
SDSC SP: 40,000
SDSC T3E: 3,000
SDSC T90: 2,250
Toichiro Kinoshita, Cornell University, All Campuses
Theoretical Study of Lepton Anomalous Magnetic Moments
IBM SP at U Michigan: 75,000
SDSC SP: 150,000
Condor: 100,000
Michael Klein, University of Pennsylvania
Quantum & Classical Simulations of Molecular Aggregates
NCSA Origin2000: 64,000
SDSC SP: 45,000
SDSC T90: 600
Anatoly Klypin, New Mexico State University, All Campuse
Formation and Evolution of Galaxies and Galaxy Clusters
NCSA Exemplar: 26,000
NCSA Origin2000: 50,000
Peter Kollman, University of California-San Francisco
Simulations of Complex Molecular Systems
NCSA Exemplar: 21,000
NM SP: 3,000
NCSA Origin2000: 37,500
SDSC T3E: 37,500
David Landau, University of Georgia
Computer Simulations of Phase Transitions
SDSC SP: 4,200
SDSC T3E: 2,250
SDSC T90: 1,114
Ronald Levy, Rutgers the State Univ of NJ, All Campus
Molecular Dynamics Simulations of Liquids and Proteins
NCSA Exemplar: 20,000
NCSA Origin2000: 36,000
SDSC T3E: 56,000
Steven Lewis, University of Georgia
First-Principles Investigations of Adsorbate-Induced Reconstructions
NCSA Origin2000: 45,000
SDSC T90: 1,500
Gilda Loew, Molecular Research Inst
Computational Studies of Two Families of Metabolizing Heme Proteins: Peroxidases and Cytochrome P450s
SDSC T3E: 50,000
SDSC T90: 100
Alexander Mackerell, University of Maryland at College Park
Atomic Detail Investigations of the Structural and Dynamic Properties of Biological Systems
SDSC T3E: 25,000
SDSC T90: 500
Richard Matzner, University of Texas at Austin
Binaries Black Holes and Gravitational Radiation
NCSA Origin2000: 40,000
SDSC T3E: 1,000
SDSC T90: 1,500
J Andrew Mccammon, University of California-San Diego
Theory of Biomolecular Structure and Dynamics
NCSA Origin2000: 20,000
SDSC SP: 60,000
SDSC T3E: 65,000
SDSC T90: 2,000
James Mcwilliams, University of California-Los Angeles
the Turbulence Dynamics of Natural Fluids : Astrophyical Plasmas; Geophysical Vortices, Jets, and Gyres, and Coastral Circulation
NCSA Origin2000: 35,000
SDSC T3E: 50,000
SDSC T90: 850
Kenneth Merz, Pennsylvania State U, All Campuses
Computer Simulation of Biomolecular Structure, Function and Dynamics
NCSA Origin2000: 30,000
SDSC T3E: 12,500
Caroline Morgan, Wayne State University
Dynamic Processes, Defects, and Growth of Gaas Surfaces
SDSC T3E: 40,000
Warren Mori, University of California-Los Angeles
Full-Scale 3d Numerical Experiments On High Intensity Laser Matter Interactions
SDSC SP: 25,000
SDSC T3E: 50,000
Michael Norman, Natl Center for Supercomputing App
the Turbulent Dynamics of Star Forming Molecular Clouds
NCSA Origin2000: 12,500
SDSC T3E: 2,500
Gregory Olson, Northwestern Univ
Stress-Corrosion Resistant Ultrahigh-Strength Steels; Modeling and Simulations
SDSC T3E: 20,000
SDSC T90: 1,000
Charles Peskin, New York University
Cardiac Fluid Dynamics and the Immersed Boundary Method
SDSC SP: 10,000
SDSC T3E: 10,000
SDSC T90: 5,000
B Montgomery Pettitt, University of Houston
Salt Effects in Solutions of Peptides and Nucleic Acids
SDSC T3E: 155,000
SDSC T90: 90
Texas T3E: 30,000
Thomas Quinn, University of Washington
Gravitational N-Body Simulations: Planet Formation to Cosmology
NCSA Origin2000: 100,000
Joachim Raeder, University of California-Los Angeles
Global Modeling of Earth's Magnetosphere
NCSA Origin2000: 135,000
SDSC SP: 40,000
Andrew Rappe, University of Pennsylvania
Quantum Mechanical Investigations of Metal Oxides and Molecular Interactions With Metal Surfaces
NCSA Origin2000: 75,000
SDSC T90: 2,280
Paul Roberts, University of California-Los Angeles
Modeling the Generation and Dynamics of the Earth's Magnetic Field
NCSA Origin2000: 35,000
SDSC T3E: 15,000
SDSC T90: 3,000
Texas T3E: 20,000
Harold Scheraga, Cornell University, All Campuses
Development of A Hierarchical Protocol for Ab Initio Prediction of Protein Structure
SDSC SP: 100,000
Klaus Schulten, University of Illinois at Urbana-Champaign
Simulations of Supramolecular Biological Systems
NCSA Origin2000: 36,000
SDSC T3E: 36,000
Stuart Shapiro, University of Illinois at Urbana-Champaign
Studies in Theoretical Astrophysics and General Relativity
NCSA Origin2000: 35,000
Quentin Stout, University of Michigan, All Campuses
Adaptive Magnetohydrodynamics Code for Space Physics Applications
IBM SP at U Michigan: 10,000
Shankar Subramaniam, University of Illinois at Urbana-Champaign
Bioinformatics, Protein Structure and Recognition
Boston PCA: 20,000
NCSA Origin2000: 35,000
Wai-Mo Suen, Washington University
Computational Relativity and Relativistic Astrophysics
HP V2500 at Caltech: 5,000
NCSA Origin2000: 180,000
SDSC T3E: 140,000
Robert Sugar, University of California-Santa Barbara
Lattice Gauge Theory On Mimd Parallel Computers
Boston Origin2000: 20,000
NCSA Origin2000: 50,000
SDSC SP: 62,500
SDSC T3E: 110,000
Douglas Swesty, SUNY at Stony Brook, All Campuses
Numerical Models of Neutron Star Mergers and Supernovae
NCSA Origin2000: 40,000
SDSC SP: 500
SDSC T3E: 10,000
SDSC T90: 200
Peter Taylor, San Diego Supercomputer Center
Structures, Energetics and Properties of Molecules
SDSC SP: 10,000
SDSC T3E: 10,000
SDSC T90: 2,462
Juri Toomre, University of Colorado, All Campuses
Coupling of Turbulent Compressible Convection With Rotation and Magnetic Fields
NCSA Origin2000: 240,000
SDSC T3E: 80,000
SDSC T90: 2,000
Gregory Voth, University of Utah
Fundamental Quantum Dynamical Processes in Condensed Matter
NCSA Origin2000: 30,000
SDSC SP: 7,500
Ralph Wheeler, University of Oklahoma, All Campuses
Properties of Radial Electron Transfer Cofactors and Donor Acceptor Complexes
NCSA Origin2000: 50,000
Robert Wilhelmson, Natl Center for Supercomputing App
the Numerical Simulation of Convective Clouds and Related Phenomena
NCSA Origin2000: 20,000
SDSC T90: 50
Paul Woodward, University of Minnesota, All Campuses
3d Simulations of Turbulent Compressible Convection
NCSA Origin2000: 200,000
| Platform | Total PIs | Total SUs |
| SDSC SP | 21 | 783,700 |
| Texas T3E | 5 | 128,200 |
| NCSA Exemplar | 6 | 150,424 |
| Condor | 1 | 100,000 |
| IBM SP at U Michigan | 3 | 105,000 |
| Boston PCA | 1 | 20,000 |
| SDSC T3E | 32 | 1,242,550 |
| SDSC T90 | 34 | 46,874 |
| HP V2500 at Caltech | 1 | 5,000 |
| NM SP | 2 | 33,000 |
| Boston Origin2000 | 2 | 32,500 |
| NCSA Origin2000 | 42 | 2,595,450 |
