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LRAC Awards for Quarter 2, 2005

Adv Sci Comp

(1) Thomas Cheatham, University of Utah
Insight Into Biomolecular Structure, Dynamics, Interactions and Energetics From Simulation
NCSA SGI Altix: 250,000
NCSA Xeon Linux Supercluster: 100,000
TG PSC HP Marvel: 30,000
TG PSC TCS1: 74,500
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 255,000
Teragrid Wide Roaming: 10,000

Astronomy

(2) Renyue Cen, Princeton University
Evolution of the Intergalactic Medium and Formation of Galaxies
NCSA Xeon Linux Supercluster: 150,000
TG PSC HP Marvel: 85,000
TG PSC TCS1: 115,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(3) Mordecai-Mark Mac Low, Natl Center for Supercomputing App
Turbulence and Magnetic Field Generation in Star Forming Regions and the Interstellar Medium
TG PSC TCS1: 472,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(4) Michael Norman, University of California-San Diego
Projects in Astrophysical and Cosmological Structure Formation
NCSA SGI Altix: 740,000
SDSC Datastar IBM P655: 700,000
SDSC Datastar IBM P690: 50,000
TG SDSC IBM P690: 10,000
SDSC TG IBM P690: 50,000
TeraGrid Cluster: 600,000
Teragrid Wide Roaming: 10,000

(5) Jeremiah Ostriker, Princeton University
Creating Virtual Catalogs for the New Era of Galaxy Cluster Data
NCSA Xeon Linux Supercluster: 60,000
TG PSC TCS1: 350,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(6) Thomas Quinn, University of Washington
Gravitational N-Body Simulations: Planet Formation to Cosmology
TG PSC HP Marvel: 20,000
TG PSC TCS1: 100,000
TG SDSC IBM P690: 170,000
SDSC TG IBM P690: 20,000
Teragrid Wide Roaming: 170,000

(7) Mateusz Ruszkowski, University of Colorado, All Campuses
3d Amr Simulations of the Evolutions of Magnetic Fields in the Universe
TG SDSC IBM P690: 20,000
Teragrid Wide Roaming: 20,000

(8) Joel Tohline, Louisiana State Univ, All Campuses
Numerical Hydrodynamics of Mass-Transferring Binary Star Systems
NCSA Xeon Linux Supercluster: 466,000

(9) Juri Toomre, University of Colorado, All Campuses
Coupling of Turbulent Compressible Solar Convection With Rotation, Shear and Magnetic Fields
NCSA SGI Altix: 205,000
TG PSC TCS1: 1,075,000
SDSC Datastar IBM P655: 775,000
TG SDSC IBM P690: 30,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 30,000
Teragrid Wide Roaming: 10,000

(10) Roy Williams, California Institute of Technology
the National Virtual Observatory-Teragrid
TG SDSC IBM P690: 407,000
Teragrid Wide Roaming: 407,000

Atmos Sci

(11) Kelvin Droegemeier, University of Oklahoma, All Campuses
Assessing the Practical Predictability of Intense Local Weather Via Real Time, High-Resolution Numerical Forecasts
TG PSC HP Marvel: 20,000
TG PSC TCS1: 400,000

(12) Natalia Gondarenko, University of Maryland at College Park
Mesoscale Structuring of High Latitude Plasma Patches
TG PSC TCS1: 102,400
SDSC Datastar IBM P655: 92,900
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(13) Charles Goodrich, Boston University
Center for Integrated Space Weather Modeling
TG PSC TCS1: 100,000
SDSC Datastar IBM P655: 350,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 150,000
Teragrid Wide Roaming: 10,000

(14) Philip Pritchett, University of California-Los Angeles
Collisionless Dissipative Processes in the Magnetotail and At the Magnetopause Boundary
SDSC Datastar IBM P655: 110,000

(15) Joachim Raeder, University of New Hampshire
Global Modeling of Earth's Magnetosphere
NCSA IBM P690: 50,000
NCSA Xeon Linux Supercluster: 350,000
SDSC Datastar IBM P655: 100,000

Biochemistry

(16) Ioan Andricioaei, University of Michigan, All Campuses
Dynamics and Thermodynamics Ot Topoisomerase - Dna Systems
TG PSC TCS1: 50,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(17) John Brady, Cornell University, All Campuses
Understanding the Action of Cellulases: Molecular Dynamics Simulation of T. Reesei Cellobiohydrolase I Acting On Crystalline Cellulose
SDSC Datastar IBM P655: 160,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 30,000
Teragrid Wide Roaming: 10,000

(18) Eric Jakobsson, Natl Center for Supercomputing App
Simulation Studies of Heterogeneous Membranes
NCSA IBM P690: 7,200
NCSA Xeon Linux Supercluster: 485,000
TG SDSC IBM P690: 30,000
TeraGrid Cluster: 166,000
Teragrid Wide Roaming: 30,000

(19) Alexander Mackerell, University of Maryland at Baltimore
Atomic Detail Investigations of the Structural and Dynamic Properties of Biological Systems
NCSA Xeon Linux Supercluster: 100,000
TG PSC HP Marvel: 32,000
TG PSC TCS1: 376,875
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(20) J Andrew Mccammon, University of California-San Diego
Theory of Biomolecular Structure and Dynamics
NCSA SGI Altix: 100,000
SDSC Datastar IBM P655: 400,000

(21) Adrian Roitberg, University of Florida
Modeling Studies of Biomolecular Systems and Nanomaterials
NCSA Condor Pool: 97,800
TG NCSA SGI Altix: 153,000
TG SDSC IBM P690: 30,000
TeraGrid Cluster: 100,000
Teragrid Wide Roaming: 30,000

(22) Benoit Roux, Cornell University Medical Campus
Computational Studies of Biological Macromolecular Systems
NCSA IBM P690: 50,000
NCSA Xeon Linux Supercluster: 927,040
TG PSC TCS1: 915,076
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(23) Harold Scheraga, Cornell University, All Campuses
Design and Parametrization of A Force Field and Global Optimization Procedure for Ab Initio Protein Structure Prediction Based On A Hierarchical Structure of the Energy Landscape.
TG PSC TCS1: 280,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(24) Carlos Simmerling, SUNY at Stony Brook, All Campuses
Computer Simulations of Biomolecular Structure and Dynamics
NCSA SGI Altix: 37,000
NCSA Xeon Linux Supercluster: 270,080
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 678,600
Teragrid Wide Roaming: 10,000

Chem Eng

(25) Richard Alkire, University of Illinois at Urbana-Champaign
Multi-Scale Simulations of Electrochemical Systems
NCSA IBM P690: 114,880
NCSA Xeon Linux Supercluster: 650,000

(26) John Kim, University of California-Los Angeles
Numerical Study of Turbulent Boundary Layers
NCSA SGI Altix: 80,000
SDSC Datastar IBM P690: 100,000
TG SDSC IBM P690: 20,000
TeraGrid Cluster: 470,000
Teragrid Wide Roaming: 20,000

(27) Manos Mavrikakis, University of Wisconsin-Madison
Catalyst Design From First-Principles
NCSA Xeon Linux Supercluster: 60,000

(28) Heinz Pitsch, Stanford University
Large-Eddy Simulation-Based Advanced Computational Tool for Modeling Turbulent Combustion
TG NCSA SGI Altix: 50,000
NCSA Xeon Linux Supercluster: 50,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

Chemistry

(29) Roberto Car, Princeton University
Terascale Simulation Techniques for Chemistry, Materials Science, and Biology
TG PSC TCS1: 1,000,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(30) William Lester, University of California-Berkeley
Development and Application of Novel Quantum Monte Carlo Methods for the Study of Excited States of Biological Molecules
NCSA Xeon Linux Supercluster: 50,000
SDSC Datastar IBM P655: 50,000

(31) Kenneth Merz, Pennsylvania State U, All Campuses
Quantum Biology
TG PSC HP Marvel: 60,000
TG PSC TCS1: 400,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(32) B Montgomery Pettitt, University of Houston
Salt Effects in Solutions of Peptides and Nucleic Acids
NCSA IBM P690: 160,000
TG PSC TCS1: 330,000
SDSC Datastar IBM P690: 250,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(33) Gregory Voth, University of Utah
Fundamental Dynamical Processes in Condensed Matter
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 1,000,000
Teragrid Wide Roaming: 10,000

Computer Sci

(34) George Karniadakis, Brown University
Teragrid Cfd Simulations
TG PSC TCS1: 305,555
TG SDSC IBM P690: 750,000
TeraGrid Cluster: 320,000
Teragrid Wide Roaming: 750,000

(35) Richard Wolski, University of California-Santa Barbara
Solving Problems of Boolean Satisfiability in Science and Engineering Using Paci Resources As A Computational Grid
TG SDSC IBM P690: 100,000
TeraGrid Cluster: 100,000
Teragrid Wide Roaming: 100,000
TG TACC Cray Dell Linux Cluster: 100,000

Earth Sci

(36) Kim Olsen, San Diego State University
Southern California Earthquake Center (Scec) Earthquake Simulation Project
SDSC Datastar IBM P655: 150,000
SDSC Datastar IBM P690: 50,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 800,000
Teragrid Wide Roaming: 10,000

Elec Eng

(37) Shanhui Fan, Stanford University
Computational Micro and Nanophotonics
TG PSC TCS1: 327,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 465,000
Teragrid Wide Roaming: 10,000

Mat Sci

(38) Cristina Amon, Carnegie Mellon University
Effect of Film Boundaries and Isotopes On the Thermal Properties of Silicon
TG PSC TCS1: 100,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(39) David Ceperley, Natl Center for Supercomputing App
Simulation of Quantum Systems
NCSA Condor Pool: 30,000
NCSA IBM P690: 50,000
NCSA Xeon Linux Supercluster: 250,000

(40) Kyeongjae Cho, Stanford University
Multi-Scale Simulations of Materials Properties and Nanostructures
SDSC Datastar IBM P655: 100,000

(41) Marvin Cohen, University of California-Berkeley
Theoretical Condensed Matter Physics
SDSC Datastar IBM P655: 877,000

(42) Arthur Freeman, Northwestern Univ
Fundamentals of Dislocation and Fracture Properties of Intermetallics: Theory Starting From First Principles
SDSC Datastar IBM P655: 350,000

(43) John Joannopoulos, Massachusetts Institute of Technology
Ab-Initio Simulations of Materials Properties
NCSA Xeon Linux Supercluster: 317,600
TG PSC TCS1: 444,800
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(44) Lubos Mitas, North Carolina State University at Raleigh
Many-Body Methods for Electronic Structure of Nanosystems and Solid Materials
NCSA Xeon Linux Supercluster: 277,440
TG SDSC IBM P690: 10,000
TG SDSC IBM P690: 10,000
SDSC TG IBM P690: 41,000
Teragrid Wide Roaming: 10,000
Teragrid Wide Roaming: 10,000

(45) Nate Newman, Arizona State University Main
Nitride-Based Materials for Spintronic Applications: Investigations By Density-Functional Theory
TG SDSC IBM P690: 10,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 190,000
Teragrid Wide Roaming: 10,000
Teragrid Wide Roaming: 10,000

Math

(46) Wai-Mo Suen, Washington University
Computational General Relativistic Astrophysics
NCSA SGI Altix: 40,000
NCSA Xeon Linux Supercluster: 210,000
TG PSC TCS1: 150,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 72,000
Teragrid Wide Roaming: 10,000

Physics

(47) Chi-Yu Hu, California State University-Long Beach
Multichannel Scattering Cross Sections Via the Faddeev Method
TG PSC TCS1: 450,000
SDSC Datastar IBM P655: 110,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(48) John Kogut, University of Illinois at Urbana-Champaign
Lattice Qcd Simulations: 1 Extreme Environments and 2 Massless Quarks
NCSA SGI Altix: 25,000
NCSA Xeon Linux Supercluster: 1,100,000
TG PSC HP Marvel: 50,000
SDSC Datastar IBM P655: 100,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(49) Keh-Fei Liu, University of Kentucky, All Campuses
Hadron Physics With Overlap Fermion
NCSA Xeon Linux Supercluster: 100,000
TG PSC TCS1: 100,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(50) Harvey Newman, California Institute of Technology
Simulation and Reconstruction of Hadronic Backgrounds to the Higgs Boson Diphoton Decay and Eta-Enriched Hadronic Events
NCSA Xeon Linux Supercluster: 460,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 480,000
Teragrid Wide Roaming: 10,000
TG TACC Cray Dell Linux Cluster: 100,000

(51) Mark Paul, Virginia Polytechnic Institute and State
Open Problems in Spatio-Temporal Chaos
TG SDSC IBM P690: 30,000
Teragrid Wide Roaming: 30,000

Summary of Awards by Discipline
Discipline Total Reqs Total SUs
Adv Sci Comp 1 729,500
Astronomy 9 7,387,000
Atmos Sci 5 1,865,300
Biochemistry 9 5,655,671
Chem Eng 4 1,634,880
Chemistry 5 3,380,000
Computer Sci 2 2,525,555
Earth Sci 1 1,020,000
Elec Eng 1 812,000
Mat Sci 8 3,147,840
Math 1 492,000
Physics 5 3,215,000
Summary of Awards by Machine
Machine Total Reqs Total SUs
NCSA Condor Pool 2 127,800
NCSA IBM P690 6 432,080
NCSA SGI Altix 8 1,477,000
NCSA Xeon Linux Supercluster 20 6,433,160
SDSC Datastar IBM P655 15 4,424,900
SDSC Datastar IBM P690 4 450,000
SDSC TG IBM P690 3 111,000
TG NCSA SGI Altix 2 203,000
TG PSC HP Marvel 7 297,000
TG PSC TCS1 23 8,018,206
TeraGrid Cluster 16 5,876,600
TG SDSC IBM P690 42 1,907,000
TG TACC Cray Dell Linux Cluster 2 200,000
Teragrid Wide Roaming 42 1,907,000

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