NERSCPowering Scientific Discovery Since 1974

2006 Initial Allocation Awards

The following table lists the allocation awards for NERSC for the 2006 allocation year (Dec 1, 2005 through Jan 8, 2007). The list is in alphabetical order by the last name of the Principal Investigator.

Note - Letters following the repository name indicate the following:

'I'   DOE ASCR INCITE award
'S' NERSC Startup award

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

 



Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Agarwal, Deborah Berkeley Lab 81131 mpdsd 5,000 50,000 CRD Distributed Systems
Department Guest Accounts
Agarwal, Deborah Berkeley Lab 81261 bwc m510 S 50,000 50,000 National Center for
Hydrology Synthesis
Al-Jassim, Mowafak NREL 81236 mp308 24,000 100 Theoretical simulations of
effects of extended and
point defects on the
properties of advanced
materials
Aldering, Greg Berkeley Lab 81505 m112 660,000 The Nearby Supernova
snfactry Factory
Alhassid, Yoram Yale Univ 81508 mp69 75,000 100 Statistical Many-Body
Studies of Nuclei and
Quantum Dots
Alivisatos, Paul Berkeley Lab 81349 m387 386,000 2,000 Theory of nanostructured
materials
Antonsen, Thomas U. Maryland 81401 m444 28,000 10,000 Application of Plasma
Waveguides to Advanced
High Energy Accelerators
Arons, Jonathan UC Berkeley 81451 mp274 10,000 22,000 Relativistic Collisionless
Shockwaves and their
Application to
Astrophysical Flows
Atherton, Cynthia Livermore Lab 81210 mp163 50,000 25,000 Atmospheric Formation,
Transformation, and
Radiative Forcing of Acid-
Catalyzed Secondary
Organic Aerosols


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Babikov, Dmitri Marquette 81282 m409 79,000 15,000 Coherent Control of Ground
Univ Electronic State Molecular
Dynamics: Toward Bond
Selective Chemistry.
Babiuc, Maria U. Pittsburgh 81398 m456 S 10,000 2,500 Numerical Harmonic
Evolution for Schwarzchild
Black Holes
Baer, Ferdinand U. Maryland 81308 mp188 190,000 4,000 Multiresolution climate
modeling with the spectral
element method
Baertschy, Mark U. Colorado 81327 m434 S 20,000 100 Molecular Control Studies
Denver and Electron-Impact
Ionization
Bailey, David Berkeley Lab 81219 m88 75,000 500 The Performance
Engineering Research
Center
Bailey, David Berkeley Lab 81271 mp207 1,000 100 Experimental Mathematics
and High-Precision
Software
Bala, Govindasamy Livermore Lab 81386 mp3 150,000 18,000 SciDAC: High-resolution
climate modeling on
Massively Parallel
Computers
Balakrishnan, Ramesh NCSA 81515 m539 S 20,000 1,000 Computational Study of
Radiation on the Flow
Dynamics of Solid Rocket
Booster Motors
Balbuena, Perla Texas A&M 81353 m249 600,000 3,000 Computational chemistry
Univ search of efficient
catalysts
Bansil, Arun Northeastern 81182 m225 25,000 2,000 Correlation Effects,
Magnetism, and
Spectroscopy of Complex
Materials, including
Nanosystems
Barad, Michael UC Davis 81227 m502 20,000 500 Embedded Boundary Adaptive
Mesh Refinement
Simulations for
Environmental Flows
Baron, Edward Brookhaven 81233 mp90 150,000 15,000 Synthetic Spectra of
Lab Astrophysical Objects
Batchelor, Don Oak Ridge 81140 m77 400,000 500 Center for Simulation of
Wave-Plasma Interactions:
SciDAC Project
Batista, Victor Yale Univ 81414 mp311 300,000 1,000 Simulations of electron-
hole relaxation dynamics
on functionalized TiO2-
anatase surfaces
Batista, Victor Yale Univ 81494 m410 181,000 1,000 QM/MM Studies of High-
Valent Manganese Complexes
Battaglia, Marco UC Berkeley 81512 ilc m549 S 500 10,000 International Linear
Collider
Behling, Pat U. Wisc. 81281 m285 75,000 28,000 Towards the prediction of
Madison decadal to mult-century
processes in a high-
throughput climate system
model
Bell, John Berkeley Lab 81368 mp111 1,159,000 1,100,000 Applied Partial
Differential Equations
Benedek, Roy Argonne 81175 mp169 100,000 200 First Principles
Calculations for Lithium
Battery Electrodes and
Electrode Coatings
Bentz, Jonathan Ames Lab 81835 m654 S 20,000 500 Development and
Performance Testing of
Computational Chemistry
Software
Bhattacharjee, A. U. New 81284 m148 250,000 30,000 Magnetic Reconnection Code
Hampshire
Bishop, Jim Berkeley Lab 81413 m479 S 20,000 5,000 Using ocean models to link
physical processes with
ocean carbon measurements
Borrill, Julian Berkeley Lab 81277 mp107 860,000 200,000 Cosmic Microwave
Background Data Analysis
Bowman, Joel Emory Univ 81818 m651 20,000 2,000 Theoretical studies of
combustion dynamics
Boyalakuntla, Jay Oak Ridge 81587 m575 S 20,000 5,000 Process Modeling for
Adanced Gas Reactor Fuel
Development and
Qualification Program
Braams, Bastiaan Emory Univ 81658 m631 20,000 500 Hydrocarbons in plasma
Branstetter, Marcia Oak Ridge 81478 m543 10,000 2,000 River Transport and
Hydrology in CCSM
Bringa, Eduardo Livermore Lab 81481 mp43 135,000 15,000 Microstructure evolution
in irradiated materials
Brown, Eric Northwestern 81596 m597 S 20,000 200 Ab Initio Study of the
Nonlinear Optical Response
Properties of Extended
Chromophores
Brown, Virginia MIT 81453 m173 5,000 1,000 Electroweak and
Electromagnetic
Interactions in the
Nucleon-Nucleon System;
Pion Production
Bruhwiler, David Tech-X Corp 81490 m327 65,000 2,000 Parallel Simulation of
Electron Cooling Physics
and Beam Transport
Budker, Dmitry Berkeley Lab 81430 m491 S 20,000 500 Ytterbium atomic structure


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Cai, Wei UNC Charlotte 81431 m495 25,000 50 Study Optical Coupling by
Evanescent WGM's Between
Microresonators Using
Discontinuous Galerkin
Methods
Cameron, Kirk Virginia Tech 81577 m571 S 20,000 500 DOE ECPI: Ultra-Scale
Memory Analysis for High-
End Computing
Cameron-Smith, P. Livermore Lab 81310 m411 150,000 40,000 Interaction of Atmospheric
Chemistry and Aerosols
with Climate
Canning, Andrew Berkeley Lab 81501 m126 175,000 5,000 Mathematical/Computational
Methods for Electronic
Structure Codes in
Nanoscience
Canning, Andrew Berkeley Lab 81630 m619 S 20,000 1,000 EAD289C UC Davis graduate
course in Computational
Modelling
Cattaneo, Fausto U. Chicago 81259 incite4 250,000 20,000 Magneto-rotational
m557 instability and turbulent
angular momentum transport
Cessi, Paola Scripps Inst 81556 m556 S 500 5,000 Eddies in the ocean
circulation
Chan, Yuen-Dat Berkeley Lab 81144 babar 90,000 Storage for Nuclear
e895 Physics Computations using
e896 PDSF at NERSC
mp46
na49 nsd
rhicthry
sno
Chang, Choong-Seock Courant Inst 81202 m499 1,800,000 5,000 Center for Plasma Edge
Simulation: SciDAC FSP
Protocol Center
Chelikowsky, James U. Texas 81247 m433 115,000 3,000 Scalable Methods for
Austin Electronic Excitations and
Optical Responses of
Nanosctructures:
Mathematics to Algorithms
to Observables
Chelikowsky, James U. Texas 81248 m175 75,000 2,000 Optical Excitations and
Austin Structural Properties of
Localized Systems
Chen, Jacqueline Sandia Lab CA 81276 mp241 360,000 20,000 Direct Numerical
Simulation of
Stabilization Mechanisms
in Lifted Nonpremixed
Flames with Vitiated
Coflow
Chen, Liu UC Irvine 81154 m92 175,000 1,000 Nonlinear Instability and
Transport Computations
Chen, Yang U. Colorado 81153 mp118 350,000 500 Gyrokinetic simulation of
Boulder plasma microturbulence and
kinetic MHD phenomena
Cheng, Hai-Ping U. Florida 81169 mp261 440,000 5,000 Multiscale Simulations of
Particle-, Molecule-
Surface Interactions and
simulations of
nanowires: Structure,
dynamics, and quantum
transport
Cheng, Wei U. Washington 81228 m500 S 20,000 5,000 Tropical Pacific Trend and
Variability
Ching, Wai-Yim U. Missouri 81224 mp250 340,000 50 Theoretical Studies of the
KC Electronic Structures and
Properties of Complex
Ceramic Crystals and Novel
Materials
Choi, Dae-Il NASA GSFC 81365 m421 6,000 15,000 Numerical Relativity
Simulations of Merging
Black Hole Binaries
Chou, Mei-Yin Georgia Tech 81234 mp258 50,000 1,000 First-Principles
Investigation of Complex
Materials Properties
Chou, Mei-Yin Georgia Tech 81287 m91 40,000 500 Quantum Monte Carlo Study
of Electron Correlation in
Quantum Dots
Chrzan, Daryl Berkeley Lab 81364 mp110 80,000 50 Computational Materials
Science
Chu, Shih-I U. Kansas 81313 m517 S 20,000 2,500 Nonperturbative study of
multiphoton processes of
atomic and molecular
systems in intense laser
fields
Chuang, Catherine Livermore Lab 81312 m428 100,000 30,000 Aerosol Forcings and
Consequences on Climate
Changes
Cohen, Bruce Livermore Lab 81183 mp2 225,000 25,000 LLNL MFE Supercomputing
Cohen, Bruce Livermore Lab 81184 gc3 1,500,000 15,000 Magnetic Fusion Plasma
Microturbulence Project
Cohen, Marvin Berkeley Lab 81417 mp173 450,000 6,000 Ab Initio Prediction of
Structural and Electronic
Properties of Materials
Cui, Congwu Berkeley Lab 81567 m562 S 10,000 50 Coherent x-ray diffraction
tomography
Cummings, Peter Vanderbilt 81363 mp138 190,000 750 Molecular-Based Simulation
Univ of Complex and
Nanostructured Fluids
Cummings, Peter Oak Ridge 81400 m526 820,000 10,000 Computational Resources
for the Nanomaterials
Theory Insitute at the
Center for Nanophase
Materials Sciences
Cummings, Peter Oak Ridge 81484 m535 250,000 1,000 Large scale quantum
transport: a leap towards
realistic length scales
for molecular electronic
devices.
Curtiss, Larry Argonne 81470 m440 50,000 50 Catalytic Reaction
Mechanisms in Nanoporous
Membranes
Curtiss, Larry Argonne 81503 m211 100,000 50 Electronic Structure
Computational Studies of
Energy Storage Systems and
Bionanocomposites


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



D'Ippolito, Daniel Lodestar 81148 m376 1,000 300 Edge, SOL and Divertor
Corp. Modeling
D'Itri, Julie U. Pittsburgh 81504 m363 80,000 100 Probing the Mechanism of
Halocarbon and Hydrocarbon
Conversion Reactions
Catalyzed by Bimetallic
Surfaces
Daggett, Valerie U. Washington 81443 incite6 700,000 17,000 Molecular Dynameomics
m559
Davidson, Ronald PPPL 81198 m314 65,000 500 Simulations of Field-
Reversed Configuration and
Other Compact Tori Plasmas
Davidson, Ronald PPPL 81311 m74 65,000 20,000 Nonlinear Delta-f Particle
Simulation of Collective
Effects for Heavy Ion
Fusion Drivers and High
Intensity Particle
Accelerators
Daw, Murray Clemson Univ 81681 m638 15,000 50 Theoretical modeling of
thermoelectric materials
De Jong, Wibe PNNL 81215 mp15 165,000 100 EMSL Molecular Science
Software Development and
Benchmarking
DeWeaver, Eric U. Wisc. 81297 m431 30,000 6,500 Diagnostic research and
Madison development: Dynamics of
Arctic climate and
atmospheric circulation in
AMIP, CMIP, and National
Assessment Integrations.
Dean, David Oak Ridge 81267 m203 400,000 100 Computational nuclear
many-body problem
Demmel, James UC Berkeley 81362 mp156 10,000 8,000 Linear Algebra Algorithms
on High Performance
Computers
Demmel, James Berkeley Lab 81435 mp309 S 20,000 100 Class Account for UCB
CS267 "Applications of
Parallel Computing"
Derenzo, Stephen Berkeley Lab 81529 m551 20,000 500 Electronic structure
calculations of new
scintillator materials
Dimitrov, Dimitre Tech-X Corp 81442 m446 13,000 5,500 3D Modeling and
Simulations of High-
Performance Electron
Sources
Ding, Chris Berkeley Lab 81450 mp153 30,000 1,000 Development of Community
Climate System Model
Doniach, Sebastian Stanford Univ 81307 mp219 77,500 1,000 Kinetic pathways for
protein misfolding and
amyloid formation
Doniach, Sebastian Stanford Univ 81491 m326 14,500 50 Amino acid Point mutations
in proteins: prediction of
backbone changes
Dorland, William U. Maryland 81371 mp217 500,000 50,000 Turbulence, Transport and
Magnetic Reconnection in
High Temperature Plasma
Downing, Kenneth Berkeley Lab 81584 m573 20,000 1,000 DNA packaging in phage
Drake, John Oak Ridge 81888 m659 100,000 40,000 A Scalable and Extensible
Earth System Model for
Climate Change Science
Drazer, German Johns Hopkins 81550 m520 155,000 5,000 Molecular Simulations of
Univ Transport in
Micro/Nanofluidic Devices
Duffy, Philip Livermore Lab 81495 m312 280,000 35,000 Evaluation of a new
representation of subgrid
scale processes in a high
resolution global climate
model
Duguet, Thomas Michigan 81487 m541 S 20,000 5,000 Microscopic description of
State low-energy properties of
medium to heavy mass
nuclei
Dunietz, Barry U. Michigan 81388 m467 S 20,000 50 Ab-initio design of
molecular scale devices
and materials for
alternative fuel
technology.
Dupuis, Michel PNNL 81497 m544 60,000 1,000 Charge Transfer,
Transport, and Reactivity
in Complex Environments.


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Elster, Charlotte Ohio Univ 81199 mp20 65,000 1,500 Three Nucleon Scattering
and Bound State
Calculations in Three
Dimensions
Esarey, Eric Berkeley Lab 81479 mp278 144,000 10,000 Numerical Simulations of
Advanced High Energy
Acceleration Techniques
and Applications


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Faller, Roland UC Davis 81393 m474 35,000 50 Polymer dynamics and glass
transition
Fawley, William SLAC 81255 mp197 3,500 50 Numerical Simulation of
Short-Wavelength Free-
Electron Lasers Utilizing
Self-Amplified Stimulated
Emission (SASE) or
Harmonic Cascade
Configurations
Felmy, Andrew PNNL 81514 mp119 425,000 100 Computational Studies in
Molecular Geochemistry
Finney, Charles Oak Ridge 81590 m577 S 20,000 5,000 MFIX simulations of
nuclear fuel particle
chemical vapor deposition
dynamics
Fischer, Charlotte Vanderbilt 81186 mp52 500 150 Theoretical studies of
Univ atomic transitions
Fleming, Graham Berkeley Lab 81381 mp364 15,000 1,000 Simulations of non-linear
optical spectra and energy
transfer dynamics of
photosynthetic light-
harvesting complexes and
reaction centers.
Fox-Rabinovitz, M. U. Maryland 81406 m527 150,000 100,000 Decadal Climate Studies
with Enhanced Variable and
Uniform Resolution GCMs
Using Advanced Numerical
Techniques
Franceschetti, A. NREL 81379 m352 40,000 50 Electronic excited states
in semiconductor quantum
dots
Frank, Joachim Wadsworth 81421 m316 269,500 100 Correlative Cryo-EM and
Center Molecular Dynamics
Simulations of Ribosomal
Structure
Freedman, Stuart Berkeley Lab 81283 kamland 2,000,000 Data Analysis and
Simulations for KamLAND
Freeman, Arthur Northwestern 81399 mp134 390,000 600 Energetics, Bonding
Mechanism and Electronic
Structure of Metal/Ceramic
Interfaces
Friedman, Alex Livermore Lab 81298 mp42 165,000 5,000 Simulation of intense
beams for heavy-ion fusion
Fung, Inez UC Berkeley 81147 m189 50,000 20,000 Carbon-Climate
Interactions
Furman, Miguel Berkeley Lab 81223 mp93 2,000 1,050 Beam dynamics issues in
the new high-intensity
particle colliders and
storage rings


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Galli, Giulia UC Davis 81496 m542 125,000 50 First prinicples
simulations of
nanostructures
Garfinkel, Alan UCLA 81448 m287 60,000 2,000 Mathematical Modeling of
Cardiac Arrhythmias
Garrett, Bruce PNNL 81438 mp329 260,000 200 Computational chemistry,
physics, and materials
science approached to
study chemical reactivity,
physisoprtion, solvation,
and radiation effects in
heterogeneous environments
Gascon, Jose U. 81595 m601 S 20,000 2,000 Quantum Mechanical
Connecticut derivation of large scale
polarization effects in
bio-macromolecules:
Application to protein ion
channels and protein-
protein association.
Geddes, Cameron Berkeley Lab 81576 incite7 I 2,500,000 50,000 Particle in cell
simulation of laser
wakefield particle
acceleration
Geissler, Phillip UC Berkeley 81651 m628 20,000 5,000 Rare but dramatic
evolutionary events in a
microscopic model of
protein-like chain
molecules
Gel, Aytekin Morgantown 81242 m507 S 20,000 1,500 Benchmarking of OpenFOAM
ETC with TAU performance
profiling tool and
Performance Comparison
with MFIX
Ghan, Steven PNNL 81361 m357 10,000 18,000 Evaluation of a Subgrid
Orography Scheme in a
Global Climate Model
Ghoniem, Ahmed MIT 81204 mp218 427,000 6,000 Lagrangian Simulation and
Optimization of Turbulent
Mixing and Combustion
Glaser, Donald UC Berkeley 81348 m460 S 20,000 50 Excitable Neuronal Array
Models of the Human Visual
System
Glimm, James SUNY Stony 81354 mp123 13,000 1,800 Front Tracking Simulations
Brook of DOE Priority Mixing
Problems
Gohar, Yousry Argonne 81291 m259 500 100 ANL Fusion Program
Goldschmidt, Yadin U. Pittsburgh 81302 m516 20,000 50 Simulations of flux lines
in high temperature
superconductors with
random pins
Gray, Stephen Argonne 81258 m430 60,000 6,000 Nanoscale Electrodynamics
Gray, Stephen Argonne 81260 mp166 110,000 7,000 Quantum Dynamics of
Chemical Reactions
Greene, Chris U. Colorado 81201 mp318 30,000 50 Molecular Dissociation by
Boulder Electron Impact
Grossman, Jeffrey UC Berkeley 81836 m655 20,000 2,000 Quantum Simulations of
Nanoscale Solar Cells
Guo, Hua U. New Mexico 81650 m627 20,000 100 Quantum dynamics of
combustion reactions
Gutowski, Maciej PNNL 81525 m260 52,500 50 Molecular Energetics of
Clustered Damage Sites in
DNA
Gutowski, Maciej PNNL 81526 mp358 100,000 50 Computational Studies of
Heterogeneous Catalysis
Gutowski, William Iowa State 81621 m612 50,000 18,000 Continuous Dynamic Grid
Adaptation in a Global
Atmospheric Model
Guzdar, Parvez U. Maryland 81407 m533 S 20,000 100 Microwave Generation for
Fusion Applications


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Haas, Stephan U. South 81389 m157 120,000 50 Magnetic Fields and
California Disorder in Quantum Spin
Systems
Hamilton, Edward Northwestern 81411 m370 20,000 50 Revival structures in
laser-aligned rotational
wave packets, including
three-dimensional
alignment using elliptical
polarization
Hammond, Jeff U. Chicago 81624 m614 S 20,000 2,000 Large-Scale Semidefinite
Programming Calculations
for Molecular Electronic
Structure
Harmon, Bruce Ames Lab 81305 mp344 75,000 200 Electronic and structural
properties of surfaces and
interfaces
Harmon, Bruce Ames Lab 81390 mp101 20,000 50 Photonic Band Gap
Materials
Harris, Charles UC Berkeley 81177 m399 S 20,000 50 Computational Modeling and
Simulation of
Organometallic Complexes
in Solution
Harrison, Robert Oak Ridge 81476 m256 285,000 5,000 Chemical Discovery through
Advanced Computing
Head-Gordon, Martin Berkeley Lab 81262 mp54 450,000 5,000 Electronic structure and
simulation calculations of
reactive chemical systems
Head-Gordon, Teresa UC Berkeley 81141 mp53 122,500 100 New Global Optimization
Approaches for Protein
Structure Prediction
Head-Gordon, Teresa Berkeley Lab 81232 m506 140,000 100 Influence of Co-Solvents
and Temperature on
Nanoscale Self-Assembly of
Biomaterials
Held, Eric Utah State 81482 m127 25,000 2,000 Application of Integral,
Parallel Closures in
NIMROD for Fusion Plasma
Simulations
Henning, Reyco Berkeley Lab 81142 majorana 20,000 Majorana - Neutrinoless
Double Beta Decay
Hingerty, Brian Oak Ridge 81344 mp106 7,000 1,000 Crystallographic, NMR and
Molecular Modeling
Calculations of
Carcinogen Modified DNA
and protein/ DNA
complexes
Ho, Kai-Ming Ames Lab 81424 m529 200,000 400 Multiscale Studies of the
Formation and Stability of
Surface-Based
Nanostructures (a CMSN
Project)
Holbrook, Steve Berkeley Lab 81570 m565 80,000 4,000 MAGGIE Bioinformatics: A
Multi-level Description of
the Protein Interaction
Network
Hurlbert, Wayne Berkeley Lab 81132 LBL 5,000 HPSS Storage for LBNL


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Im, Hong U. Michigan 81425 m217 1,650,000 3,000 High-Fidelity Direct
Numerical Simulations of
Turbulent Combustion -
Compression Ignition under
HCCI Conditions and NOx
Formation in Turbulent Jet
Flames
Ingber, Marc U. New Mexico 81560 m560 100,000 500 Localized Scale Coupling
in Multiphase Fluid Flows
Ismail-Beigi, Sohrab Yale Univ 81230 m496 S 20,000 2,000 First principles Green's
function calculations of
electronic and optical
properties of materials
Izzo, Valerie MIT 81146 m455 60,000 100 Alcator C-Mod disruption
and disruption mitigation
simulations


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Jacobs, Peter Berkeley Lab 81463 alice 60,000 Simulations for the ALICE
experiment at LHC
Jain, Atul U. Illinois 81150 m537 S 20,000 50 Evaluating the Role of
U-C Ocean Biogeochemical
Variability in the Global
Carbon Cycle using
Satellite Observations and
Models
Jap, Bing Berkeley Lab 81445 m389 134,500 50 Molecular Dynamics
Simulations of Water
Transport through Water
Channels
Jap, Bing Berkeley Lab 81455 m490 20,000 50 Molecular Dynamics
Simulations of Proteasome
Assembly and Activation
Jardin, Stephen PPPL 81270 mp287 65,000 2,000 Tokamak fueling via pellet
and supersonic gas
injection using AMR
Jardin, Stephen PPPL 81328 mp288 650,000 5,000 3D Extended MHD simulation
of fusion plasmas
Jardin, Stephen PPPL 81336 mp286 100,000 10,000 Analysis and Design of
Stellarator Configurations
Jellinek, Julius Argonne 81209 m196 52,000 300 Structure, Energetics and
Dynamics of Metal,
Including Alloy,
Nanoparticles;
Interactions (Reactive and
Inelastic) of Molecules
with Nanoparticles
Ji, Chueng Ryong North 81322 m230 5,000 50 Quantum Chromodynamic
Carolina Analysis of Hadron
State Structure and Application
to Cosmology
Johnson, Donald U. Wisc. 81427 m167 160,000 4,000 Modeling and Analysis of
Madison Global and Regional
Hydrologic Processes and
Appropriate Conservation
of Moist Entropy
Juang, Henry NOAA 82049 m685 S 20,000 2,000 Ensemble Regional Seasonal
Forecast over USA by NCEP
Regional Spectral Model
Judd, Eleanor UC Berkeley 81152 euso S 2,000 Extreme Universe Space
Observatory


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Kalinichev, Andrey U. Illinois 81735 m645 S 20,000 2,000 Molecular Dynamics of
U-C Geologically Important
Fluids and Mineral-Fluid
Interfaces
Kaplan, David U. Washington 81532 m308 15,000 3,000 Simulation of
Nonrelativistic Fermi Gas
Karplus, Martin Harvard Univ 81167 gc8 200,000 25,000 Theoretical study of
conformational change,
molecular recognition and
catalysis in biomolecular
systems
Karrenbach, Martin Paulsson Inc. 81485 m302 5,000 10,000 3D Seismic Modeling
Katsouleas, Thomas U. South 81331 mp275 104,000 1,000 Program for Plasma-Based
California Concepts for Future High-
Energy Accelerators
Kendall, Ricky Ames Lab 81161 mp359 S 10,000 100 Computer Science 425: High
Performance Computing for
Scientific and Engineering
Applications
Kendall, Ricky Ames Lab 81462 mp263 2,000 200 Parallel and Distributed
Computing Tools and
Infrastructure
Keyes, David Columbia Univ 81459 m125 10,000 100 Terascale Optimal PDE
Simulations
Kim, Kwiseon NREL 81254 m322 50,000 50 Nanoscience Parallel
Optimization Algorithms
Kim, Kwiseon NREL 81256 m514 70,000 100 Electronic structure and
reactivity of FeFe-
hydrogenase
metalloclusters
Kim, Sung-Hou Berkeley Lab 81429 mp211 900,000 100 Structural Genomics
King, Benjamin U. Nevada 81585 m600 20,000 500 Patterns in Hydrogenation
Reno of Carbon Nanotubes
Klein, Richard UC Berkeley 81213 m231 500,000 80,000 Toward a Comprehensive
Theory of Massive Star
Formation
Klein, Spencer Berkeley Lab 81278 icecube 1,000 Simulation and Analysis
Work for IceCube
Ko, Kwok SLAC 81350 m349 403,000 1,000 Advanced Modeling for High
Energy Accelerators
Kogan, Boris UCLA 81151 mp66 25,000 50 The effect of Markovian
representation of cell
gating processes on
cardiac arrhythmias in 2-
and 3-dimensional cardiac
tissue
Konerding, David Berkeley Lab 81294 imcg S 100 Exhaustive cross-
comparison of genome
sequences for IMG and IMCG
Konerding, David Berkeley Lab 81535 m553 70,000 2,500 How does Topoisomerase I
straighten bent DNA:
Extended Molecular
Dynamics Simulations of
Topoisomerase I bound to
curved DNA
Koplik, Joel City College 81346 mp247 20,000 20,000 Particulate transport in
NY self-affine fractures
Kotamarthi, V. Rao Argonne 81374 m184 10,000 1,000 High-Spatial Resolution
Models of Atmospheric
Chemistry, Aerosols for
Regional Scale Climate
Simulations
Krakauer, Henry William & 81468 m393 55,000 50 Quantum Monte Carlo study
Mary of the structural
instabilities in
transition metal
perovskites BiScO3 and
BiYO3
Kral, Petr U. Illinois 81647 m624 S 20,000 100 Molecular dynamics studies
Chicago of transport phenomena in
hybrid nanoscale systems
Kramer, William Berkeley Lab 81553 mphpcd 5,000 5,000 NERSC High Performance
Computing Department Guest
Accounts
Kramer, William NERSC 81554 noexp 5,000 20,000 NERSC overhead account for
norepo users with no active repo
Krueger, Steven U. Utah 81477 m205 15,000 5,000 Simulating Cloud Systems
Kuriyan, John UC Berkeley 81299 m37 100,000 3,000 Computational
investigations of proteins
involved in cell signaling
and DNA replication
Kwon, Young-Kyun UMass Lowell 81593 m599 S 20,000 2,000 Computational Modeling and
Design for Nanotechnology
and Nanomanufacturing.


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Lacis, Andrew NASA GISS 81378 m238 10,000 100 Theoretical Calculation of
Water Vapor Continuum
Absorption
Lamarque, J. NCAR 81410 m330 150,000 3,000 Simulation of present-day
and 21st-century climate
with interactive chemistry
in CAM3: identifying the
role of aerosols
Landman, Uzi Georgia Tech 81300 mp97 205,000 22,000 Quantum and classical
simulations of clusters,
self-assembly. nano-scale
manupulations,
nanotribology, and
biological processes
Leboeuf, Jean-Noel UCLA 81172 mp28 85,000 15,000 Fusion Plasma Modeling
Using 3-D Particle-In-Cell
Simulations at UCLA
Leboeuf, Jean-Noel UCLA 81191 mp201 30,000 25,000 Turbulent and MHD behavior
of plasmas
Leboeuf, Jean-Noel UCLA 81192 m414 650,000 25,000 Fusion Science Center For
Multiscale Plasma Dynamics
Lee, Frank George Wash 81145 m102 300,000 300,000 Excited Baryon Physics
Univ from Lattice QCD
Lee, Patrick MIT 81244 m525 79,000 50 Spin Liquid in honeycomb
lattice
Lee, Wei-li PPPL 81155 mp19 3,500,000 10,000 Center for Gyrokinetic
Particle Simulations of
Turbulent Transport in
Burning Plasmas and
Multiscale Mathematics
Lester, William Berkeley Lab 81203 mp208 780,000 1,000 Quantum Monte Carlo for
Electronic Structure of
Molecules
Lester, William Berkeley Lab 81316 m518 900,000 8,000 Application of Quantum
Monte Carlo Methods to
Biological Systems
Leung, Lai-Yung Ruby PNNL 81507 m546 30,000 1,000 Modeling of Regional
Climate Over China
Leung, Mary Ann U. Washington 81274 m382 20,000 1,000 Numerical studies of the
Bose Einstein Condensate
in multiple wells
Li, Haisen U. Florida 81601 m604 S 20,000 100 A Fourier analysis on the
optimal grid size for
discrete proton beam dose
calculation
Li, Rui Jefferson Lab 81432 mp159 5,000 100 Effects of Coherent
Synchrotron Radiation on
Accelerator Performance
and beam-beam simulations
Lin, Yu Auburn Univ 81235 m206 100,000 1,000 Gyrokinetic Electron and
Fully Kinetic Ion Particle
Simulations of 2-D
Collisionless Magnetic
Reconnection
Liu, Feng U. Utah 81360 m284 170,000 1,000 First-principles
Calculation of Surface
Stress Evolution of Ge
Quantum Dots
Liu, Keh-Fei U. Kentucky 81269 mp7 700,000 500,000 Lattice QCD Monte Carlo
Calculation of Hadron
Structure
Livny, Miron U. Wisc. 81797 m670 osg S 20,000 5,000 Extending the Open Science
Madison Grid
Loken, Stewart Berkeley Lab 81340 atlasdc 250,000 ATLAS Data Challenges
Loken, Stewart Berkeley Lab 81342 atlas 35,000 Simulation of ATLAS
Physics
Lou, Tak Pui Berkeley Lab 81566 m561 S 20,000 2,000 Liquid Semiconductor
Nuclear Power System
Louie, Steven Berkeley Lab 81416 mp149 290,000 10,000 Computation of Electronic
Properties of Materials
from First Principles
Lousto, Carlos U. Texas 81563 LazEv 30,000 25,000 Simulations of orbiting
Brnsvl m199 Binary Black Holes
Loveland, Walter Oregon State 81318 m136 120,000 70,000 Calculation of the Effects
of Relativity and Electron
Correlation for systems of
superheavy elements
Rutherfordium up to the
heaviest primordial
superheavy element (SHE)
ekaplutonium E126
Luk, Kam-Biu Berkeley Lab 81685 dayabay S 1,000 Daya Bay Reactor Neutrino
Experiment


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Ma, Chung-Pei UC Berkeley 81384 m289 41,000 2,000 Evolution of Dark Matter
Halos and Black Holes
Ma, Evan Johns Hopkins 81545 m400 68,500 2,000 Polyamorphism of Metallic
Univ Glasses
Maclin, Arlene Norfolk State 81648 m626 S 20,000 50 A Theoretical
Investigation of the
Optical Electronic and
Mechanical Properties of
Select Nanostructures
Makino, Kyoko Michigan 81272 m509 50,000 25,000 Modern Map Methods in
State Particle Beam Physics
Manson, Steven Georgia State 81226 m497 S 20,000 500 Inner and Outer shell
Photoabsorption by
Positive and Negative Ions
and Neutral Atoms
Marques, Osni Berkeley Lab 81418 m340 6,500 100 Installation, Testing and
Evaluation of ACTS Tools
Mascarenhas, Angelo NREL 81304 mp306 30,000 1,000 Electronic structure of
non-conventional
semiconductor alloys and
nanostructures
Masunov, Artem U. Central 81530 m513 110,000 5,000 Molecular Dynamics
Florida simulations of
temperature-dependent
linewidths on TD DFT
calculated two-photon
absorption spectra.
Mavrikakis, Manos U. Wisc. 81412 mp351 400,000 100 First-Principles Catalyst
Madison Design for Environmentally
Benign Energy Production
McCurdy, C. William Berkeley Lab 81456 mp74 25,000 1,500 Electron-Atom and
Electron-Molecule
Collision Processes
McKee, Christopher UC Berkeley 81436 m498 S 20,000 50 Monte Carlo Radiative
Transfer
McMahon, William NREL 81205 m147 20,000 200 As/Ge Surface Structures
Menon, Surabi Berkeley Lab 81138 m464 10,000 1,000 Cloud Physics
Parameterizations for
arctic stratus and
convective cloud systems
Meza, Juan Berkeley Lab 81552 mphpcrd 20,000 200,000 CRD High Performance
Computing Research
Department Guest Accounts
Mezzacappa, Anthony Oak Ridge 81335 mp124 900,000 70,000 Shedding New Light on
Exploding Stars: TeraScale
Simulations of Neutrino-
Driven Supernovae and
Their Nucleosynthesis
Mikkelsen, David PPPL 81207 m64 700,000 500 Experimental Tests of
Gyrokinetic Simulations of
Microturbulence
Miller, Doug UNC Asheville 81521 m550 S 20,000 1,000 Forecasting Coupled
Meteorology and Air
Quality at Very High
Resolutions
Miller, Norman Berkeley Lab 81483 m273 25,000 5,000 The California Water and
Energy System: An Approach
for Addressing Future
Crises
Miller, William UC Berkeley 81366 mp14 180,000 100 Quantum instanton model
and semiclassical approach
for molecular reaction
dynamics
Millunchick, Joanna U. Michigan 81537 m547 S 20,000 50 Mechanisms for Surface
Segregation in Compound
Semiconductor Thin Films
Mori, Warren UCLA 81279 mp113 620,000 40,000 continuing studies of
plasma based accelerators
Mori, Warren UCLA 81375 m412 265,000 7,500 Investigations of fast
ignition physics and
extreme states of matter
Morris, James Oak Ridge 81197 m435 60,000 100 Atomistic modeling of
novel alloy behavior
Mukamel, Shaul UC Irvine 81690 m639 S 20,000 2,000 Probing Vibrational and
Electronic Dynamics
through Nonlinear
Spectroscopy
Mundy, Christopher Livermore Lab 81464 m452 160,000 1,000 Unraveling the Mysteries
of the Phase Diagram of
Water Using First
Principles Methods and
Tera-scale Computing
Resources
Murad, Paul Defense 81599 m602 S 5,000 500 Closed Form Solution to
Intell Agency Navier-Stokes equations


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Najm, Habib Sandia Lab CA 81428 m401 1,000 1,000 A Computational Facility
for Reacting Flow Science
Najmabadi, Farrokh UC San Diego 81212 mp203 15,000 3,000 Fusion Edge Plasma
Analysis for Divertor
Design
Negele, John MIT 81290 mp133 200,000 82,000 Exploration of Hadron
Structure using Lattice
QCD
Nelson, Brian U. Washington 81367 m489 100,000 3,000 The Plasma Science and
Innovation Center
Nelson, Brian U. Washington 81447 m172 60,000 2,000 Helicity Injected Torus
Current Drive and Compact
Toroid Studies
Nemeth, Karoly Argonne 81666 m634 S 20,000 2,000 Parallel Computation for
Laser Plasma Interactions
at Relativistic
Intensities
Newman, Gregory Berkeley Lab 81524 m372 150,000 150 Large Scale 3D Geophsycial
Inversion & Imaging
Ng, Cheuk-Yiu UC Davis 81159 m319 160,000 50 Accurate ab initio
Calculations of Energetics
and Spectroscopic
constants of Molecular
Neutrals/Cations/Radicals
for comparison with state-
of-the-art Experiments
Ng, Esmond Berkeley Lab 81493 mp127 15,000 1,000 High Performance Sparse
Matrix Algorithms
Nikolopoulos, D. William 81533 m552 S 20,000 600 MELISSES: Liquid Services
& Mary for Scalable
Multithreaded/Multicore
Execution on Emerging
Supercomputers
Nolen, Jerry Argonne 81211 mp362 265,000 30,000 Rare Isotope Accelerator -
Target, Shielding,
Fragment Separators and
Accelerator Studies
Norman, Michael UC San Diego 81575 incite8 I 1,000,000 500,000 Precision Cosmology Using
the Lyman Alpha Forest
Nozik, Arthur NREL 81239 m72 140,000 15,000 Experimental and
Theoretical Studies of
Semiconductor Systems for
Improved Solar Energy
Technologies


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Oberacker, Volker Vanderbilt 81171 m202 40,000 50 HFB nuclear structure
Univ calculations up to the
neutron dripline, and TDHF
fusion calculations for
neutron- rich nuclei
Oefelein, Joseph Sandia Lab CA 81387 m295 300,000 5,000 Large Eddy Simulation of
Turbulence-Chemistry
Interactions in BES Target
Flames
Ogut, Serdar U. Illinois 81573 m567 20,000 2,000 Optical Properties of
Chicago Noble Metal Clusters from
First Principles
Olson, Doug Berkeley Lab 81339 gc5 ppdg 2,300,000 STAR Detector Simulations
rhstar and Data Analysis


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



PI, Test NERSC 81135 testmpp 10 10 Test project/repositories
Paris, Mark Jefferson Lab 81625 m615 20,000 2,000 Dynamical coupled-channel
analysis of excited baryon
production
Parrish, Ian Princeton 81193 m503 S 20,000 5,000 3D Simulations of the
Univ Magnetothermal Instability
Parvin, Bahram Berkeley Lab 81544 lowdose 150,000 Mechanism of DNA Damage
and Repair Nuclear
Imaging of Gene Expression
Patague, Larry Math Sci Res 81597 m598 S 50,000 20,000 Data Assimilation for the
Inst Carbon Cycle
Pattison, Martin Metaheuristic 81620 m611 S 20,000 2,000 Lattice Boltzmann
s simulation of
magnetohydrodynamic flows
Patton, Edward NCAR 81369 m373 10,000 5,000 Numerical simulation of
sub-canopy drainage flows
and their influence on
above-canopy measurements
Patton, Edward NCAR 81696 m640 20,000 2,000 Influences of the Boundary
Layer Flow on Vegetation-
Air Exchanges of Energy,
Water and Carbon Dioxide
Penner, Joyce U. Michigan 81268 mp231 100,000 25,000 Three-dimensional Global
Atmospheric Aerosol and
Chemistry Modeling
Perlmutter, Saul Berkeley Lab 81370 m219 345,000 15,000 SNAP Simulation and
snap Analysis
Perlmutter, Saul Berkeley Lab 81475 deepsrch 170,000 Optimal Photometric
Reduction of Supernova
Images for Cosmological
Measurements
Pfreundt, F. Fraunhofer 81395 m282 5,000 1,000 Integrated Performance
ITWM Germany Analysis of Distributed
Computer Systems
Pieper, Steven Argonne 81249 mp26 49,000 10,000 Exact Calculations of
Light Nuclei Using
Realistic Interactions
Pinar, Ali Berkeley Lab 81391 m475 S 10,000 5,000 Advanced Computational
Tools for Electric Power
Systems
Pindzola, Michael Auburn Univ 81164 m41 1,100,000 4,000 Computational Atomic
Physics for Fusion Energy
Plewa, Tomasz U. Chicago 81243 m461 452,000 325,000 Thermonuclear Supernovae:
Stellar Explosions in
Three Dimensions
Post, Wilfred Oak Ridge 81472 m540 40,000 200 Global Carbon Cycle
Studies: Coupled carbon-
cycle climate simulations
Potter, Gerald Livermore Lab 81225 mp193 250,000 1,000,000 Program for Climate Model
Diagnosis and
Intercomparison
Pratt, Larry Fisk Univ 81589 incite9 I 100,000 5,000 Reactions of lithium
carbenoids, lithium
enolates, and mixed
aggregates
Primack, Joel UC Santa Cruz 81376 mp363 168,000 200,000 Galaxy Formation
Simulations
Prinz, Fritz Stanford Univ 81642 m622 20,000 100 Solid Oxide Fuel Cell
Cathode Catalyst Supports:
YSZ and GDC influence on
Pt catalysts for oxygen
dissociation


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Radhakrishnan, Bala Oak Ridge 81474 m536 90,000 2,000 Structure Property
Relationships in Energy
and Bulk Nanocrystalline
Materials
Ram, Abhay MIT 81208 m224 500,000 3,000 Computational studies in
plasma physics and fusion
energy
Randall, David Colorado 81383 m328 500,000 10,000 Super-Parameterization for
State ARM
Ratcliff, Jay US Army Corps 81572 m566 400,000 5,000 Coastal Storm Surge
Engr MVN Analyses
Rauchwerger, LawrenceTexas A&M 81440 m493 S 20,000 50 SmartApps: Middle-ware for
Univ taxi Adaptive Applications on
Reconfigurable Platforms
Rehr, John U. Washington 81301 mp313 20,000 50 High Performance
Computation of Photon
Spectroscopies and
Electronic Excited States
Rezayi, Edward CSU Los 81486 m404 130,000 1,000 Numerical Studies of
Angeles Collective Phenomena in
Two-Dimensional Electron
Systems
Roche, Kenneth Oak Ridge 81397 m397 105,000 150 DOE Matrix / Application
Matrix
Rollett, Tony Carnegie 81196 mp262 250,000 350 Microstructural Evolution
Mellon Based on Fundamental
Interfacial Properties: a
DOE sponsored
Computational Materials
Science Network
Romanowicz, Barbara UC Berkeley 81549 m554 20,000 2,000 Calibration of 3D Upper
Mantle Structure in
Eurasia Using Regional and
Teleseismic Full Waveform
Seismic Data
Rowan, William U. Texas 81377 mp285 50,000 100 Turbulence simulation and
Austin comparison with
measurements on DIII-D and
Alcator C-Mod, and new
Institute for Fusion
Studies and Fusion
Research Center projects
Rubin, Edward JGI 81181 m342 400,000 Optimizing Genomic Data
Storage for Wide
Accessibility
Ryne, Robert Berkeley Lab 81220 gc2 1,418,000 28,000 SciDAC Advanced Computing
for 21st Century
Accelerator Science and
Technology Project


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Saad, Yousef U. Minnesota 82048 m684 S 20,000 2,000 Pseudopotential Algorithm
for Real Space Electronic
Calculations
Samulyak, Roman Brookhaven 81500 m545 30,000 3,000 Simulation of Free Surface
Lab MHD Flows in Tokamak
Refueling and Plasma
Disruption Mitigation
Applications
Schaefer, Henry U. Georgia 81246 m170 130,000 500 Computations of Properties
to Chemical Accuracy
Schatz, George Northwestern 81614 m610 S 20,000 250 Molecular dynamics study
of an actin septamer:
Testing the Holmes model
and the hydrophobic plug
loop hypothesis
Schiavilla, Rocco Jefferson Lab 81257 m69 45,000 50 Electro-Weak Structure of
Light Nuclei
Schnack, Dalton SAI San Diego 81337 mp21 800,000 10,000 NIMROD Project: Extended
Magnetohydrodynamic
Modeling for Fusion
Experiments
Schnack, Dalton SAI San Diego 81523 mp290 25,000 4,000 Magnetohydrodynamic Codes
for Fusion Applications
Schneider, Niklas Scripps Inst 81394 m245 1,000 3,500 Predictability and
Diagnosis of Low-Frequency
Climate Processes in the
Pacific
Schultz, David Oak Ridge 81166 mp48 175,000 1,000 Theoretical Atomic Physics
for Fusion Energy
Seidel, Edward Louisiana 81341 m152 404,000 20,000 Black Hole Merger
State Simulations
Seki, Ryoichi Cal Tech 81396 m451 500,000 5,000 nuclear lattice
calculation
Sethian, James Berkeley Lab 81639 m621 S 20,000 2,000 Study of Mixing in
Geophysical Flows
Shapiro, Marjorie Berkeley Lab 81489 cdf 40,000 Physics Analysis of CDF
fermi (Collider Detector at
Fermilab) Data
Shigemitsu, Junko Ohio State 81190 mp268 4,000 30,000 Heavy-Light Physics with
NRQCD Heavy and Improved
Staggered Light Quarks
Simon, Horst Berkeley Lab 81133 mpnersc 20,000 5,000 NERSC Division Guest
Accounts
Sinclair, Donald Argonne 81206 mp27 967,000 100,000 Lattice Gauge Theory
Simulations
Singh, David Oak Ridge 81280 mp221 160,000 100 Numerical Simulations of
Interfaces, Grain
Boundaries, and
Nanocrystals
Smith, Barry Argonne 81473 mp11 1,000 50 PETSc Development for
SciDAC-TOPS and ACTS
Smoot, George Berkeley Lab 81488 astrogfs 50,000 Large Astrophysical Data
Sets: Data analysis and
simulation of astro-
physical neutrinos, dark
matter and dark energy in
AMANDA, IceCube and SNAP
Snurr, Randall Northwestern 81200 m538 60,000 50 Hybrid Quantum Mechanics
and Molecular Mechanics
Study of NOx Reduction
with BaY Zeolites
Snyder, Philip General 81314 mp94 650,000 35,000 Simulation of Magnetically
Atomics Confined Fusion Plasmas
Sosonkina, Masha Ames Lab 81231 m419 10,000 1,000 Interoperable software for
modern high-performance
applications
Souza, Ivo UC Berkeley 81423 m418 20,000 100 Computational and
theoretical studies of
bulk and nano solid
systems
Sovinec, Carl U. Wisc. 81296 mp200 160,000 2,000 Fluid and Hybrid Modeling
Madison of Electromagnetic
Activity in MFE Plasmas
Spera, Frank UC Santa 81315 m178 150,000 5,000 Large-Scale Molecular
Barbara Dynamics of Geomaterials:
The Glass Transition,
Nanoscale Structure-
Property Correlations,
Shock Wave Simulations and
Role of Water on Liquid
Properties at High-
Pressure and Applications
to Earth and Planets
Spong, Don Oak Ridge 81338 mp202 100,000 12,000 Plasma Confinement,
Stability, Heating and
Optimization in
Stellarators and Tokamaks
Sposito, Garrison Berkeley Lab 81158 mp47 150,000 100 Clay Mineral Surface
Geochemistry
Sprangle, Phillip Naval 81480 mp343 16,000 50 High Energy Laser-Driven
Research Lab Acceleration Based on the
Laser Wakefield
Accelerator
Srinivasan, Ashok Florida State 81273 m512 S 20,000 50 Parallelization of Time in
Long-Time Molecular
Dynamics Simulations
Stocks, G. Malcolm Oak Ridge 81174 gc4 1,400,000 10,000 Magnetic Materials:
Bridging Basic and Applied
Science
Striolo, Alberto U. Oklahoma 81449 m530 20,000 50 Metal - Carbon Nanotube
Composites for Catalytic,
Nanoelectronic, and
Sensing Devices: a
Theoretical Investigation
to Guide Experimental
Practices
Strohmaier, Erich Berkeley Lab 81343 m283 15,000 50 Performance
Characterization and
Benchmarking of HPC
Systems
Sukharev, Maxim Northwestern 81168 m508 S 20,000 100 Optimal control of light
in nanoscale:
nanostructures embedded in
nonlinear media


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Tang, Xianzhu Los Alamos 81372 mp204 50,000 1,000 nonlinear studies of
Lab magnetically confined
plasmas
Tang, Xianzhu Los Alamos 81373 m139 15,000 500 Nonlinearly implicit MHD
Lab and two-fluids simulation
of fusion plasmas
Taylor, John Montclair 81499 mp320 5,000 Building a scalable
State weather and regional
climate modeling system
Thakur, Bhupender U. Delaware 81969 m673 S 10,000 400 Density Matrix
Renormalization Group
method for Large scale
nuclear structure
calculations.
Thumm, Uwe Kansas State 81527 m453 S 20,000 5,000 Quantum Dynamics of Charge
Exchange at Surfaces
Tokmakian, Robin Naval PS 81329 m528 20,000 16,000 Decadal to century coupled
ocean/ice simulations at
high resolution (0.20) and
using an innovative
geodesic grid in a coupled
ocean/ice/atmosphere
simulation
Toon, Owen U. Colorado 81324 mp192 20,000 6,000 Large-eddy simulations of
Boulder aerosol-cloud interactions
Toussaint, Doug U. Arizona 81286 mp13 2,250,000 4,000 Quantum Chromodynamics
with three flavors of
dynamical quarks


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Vahala, George William & 81409 mp32 350,000 3,000 Lattice Boltzmann
Mary Simulations for Plasmas
Vary, James Iowa State 81392 m94 1,456,000 5,000 Structure and Reactions of
Hadrons and Nuclei; Non-
perturbative Solutions of
Strongly Interacting
Fields


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Wang, Haobin New Mexico 81157 m93 160,000 100 Quantum and Semiclassical
State Study of Charge and Energy
Tranfers in the Condensed
Phase
Wang, Lin-Wang Berkeley Lab 81498 mp304 270,000 10,000 Large scale nanostructure
electronic structure
calculations
Ware, Andrew U. Montana 81433 mp205 6,000 100 Theory of Turbulent Heat
and Particle Fluxes in ExB
Shear Flow and
Computational Modeling of
the Stability of Novel
Stellarators
Washington, Warren NCAR 81292 mp9 1,802,000 400,000 Climate Change Simulations
with CCSM3: Moderate and
High Resolution Studies
Weber, William PNNL 81326 mp148 78,000 1,000 Defects, Defect Processes,
and Ion-Solid Interactions
in Ceramics
Weinert, Michael U. Wisc. 81325 mp330 40,000 150 Electronic Structure of
Milwaukee Alloys, Surfaces, and
Nanostructures
Weitzner, Harold New York Univ 81187 mp338 65,000 4,000 Advanced Toroidal Theory
and Computation
Weitzner, Harold New York Univ 81188 m191 15,000 50 Advanced Stellarator
Theory
Wellein, Gerhard RRZ Erlangen 81683 m635 S 20,000 1,000 Application Performance
Germany Characteristics of Leading
Edge Supercomputers
Wells, Jack Oak Ridge 81466 m534 20,000 50 Probing Mechanisms for the
Synthesis of Nanomaterials
Wen, Zhaofang Sandia Lab NM 81380 m407 S 20,000 1,000 Application Performance
Analysis of Unified
Parallel C
Werthimer, Dan UC Berkeley 81540 seti 500,000 Berkeley High Resolution
Neutral Hydrogen Sky
Survey
White, Martin UC Berkeley 81160 m68 134,000 3,000 Constraining dark energy
with clusters of galaxies
Whitesides, George Harvard Univ 81426 m462 S 20,000 5,000 Molecular Dynamics
Simulations of the Effects
of Surface Charges upon
the Stability of Bovine
Carbonic Anhydrase II
Wiley, James U. Texas 81189 mp77 15,000 3,000 Comprehensive modelling
Austin and transport studies at
the Institite for Fusion
Studies
Wilkins, John Ohio State 81345 mp160 150,000 100 Modeling Dynamically and
Spatially Complex
Materials
Williamson, Andrew Livermore Lab 81467 m337 170,000 100 Quantum Monte Carlo
Simulations of
Nanostructured Materials
Wood, Brandon MIT 81568 m563 S 20,000 2,000 A First-principles
Dynamics Study of
Superionic Conductivity
Woodruff, Simon U. Washington 81661 m633 S 20,000 3,000 High energy collisions and
compression of field
reversed configurations
Woosley, Stan UC Santa Cruz 81149 m106 1,649,000 70,000 The UCSC/UA/LANL/LLNL
Supernova Science Center
Wu, Jianzhong UC Riverside 81622 m618 20,000 2,000 Theory and simulation of
polyelectrolyte brushes
Wu, Meng-Shiou Ames Lab 81917 m664 S 20,000 100 Computational Quality of
Service for Chemistry
Software
Wu, Ruqian UC Irvine 81460 m532 50,000 1,000 First Principles
Exploration for the Origin
of Ferromagnetism in
Diluted Magnetic
Semiconductors
Wu, Ruqian UC Irvine 81492 mp244 130,000 100 First Principles
Investigations and
Simulations for Catalytic
Properties of Metal/Oxide
Surfaces
Wuebbles, Donald U. Illinois 81332 mp79 250,000 45,000 Parallel modeling of
U-C climate, chemistry, and
physics affecting the
global atmosphere


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Yang, Wei Florida State 81136 m522 S 20,000 5,000 Molecular Simulation Study
of Mechanism of MutY
Adenine DNA Glycosylase
Yarkony, David Johns Hopkins 81434 m488 S 20,000 1,000 Intersections of 3
Univ electronic states in 2-
methyl-1,3,5-triazine
Yelick, Katherine Berkeley Lab 81513 mp215 45,500 2,500 UPC and Titanium
Yeung, Pui-kuen Georgia Tech 81288 m442 260,000 65,000 High-Resolution Simulation
of Mixing and Reaction in
Turbulent Flow
Yu, Rong Berkeley Lab 82054 m686 S 20,000 1,000 Computation of Proton
Transfer Mechanisms in
Ceramics
Yunn, Byung Jefferson Lab 81309 m216 4,000 200 Accelerator Physics
Studies of Applications of
Superconducting Linacs


Principal Site Request Repo SP HPSS Project Title
Investigator Id Hours SRUs



Zapol, Peter Argonne 81509 m441 90,000 50 Soft/hard interfaces in
nanomaterials
Zapol, Peter Argonne 81511 m548 30,000 50 Computational studies of
Electrocatalysis for Low
Temperature Fuel Cell
Cathodes
Zhang, Keni Berkeley Lab 81631 m620 S 15,000 50 Numerical investigation of
long-term fate of CO2
plumes stored in saline
formations
Zhang, Shengbai NREL 81240 mp252 190,000 25,000 Semiconductor doping
bottleneck and novel
ordered alloy research
Zhang, Xiao-Feng Berkeley Lab 81306 m403 20,000 2,000 Computation of Proton
Transfer Mechanisms in
Ceramic Materials
Zhang, Yeliang U. Arizona 81569 m564 S 19,000 2,000 Physics Aware Runtime
System
Zhang, Yeliang U. Arizona 81586 m574 S 20,000 2,000 Towards an Automatic and
Application-Based
Eigensolver Selection
Zhang, Yongxin Los Alamos 81623 m613 S 20,000 2,100 Effects of Aerosols on
Lab Climate and Climate Change
Zhang, Zhenyu Oak Ridge 81415 m108 220,000 100 First principles studies
of formation, stability
and transport properties
of surface based
nanostructures
Zhu, Ping U. Wisc. 81562 m572 S 20,000 2,000 Extended MHD Simulations
Madison of Nonlinear Ballooning
Instability in Fusion and
Space Plasmas
Zunger, Alex NREL 81289 mp70 100,000 500 Computational
Semiconductor Physics
Zunger, Alex NREL 81295 m346 250,000 250 Predicting the electronic
Properties of 3D, Milion-
Atom Semiconductor
Nanostructure
Architectures
Zyla, Piotr Berkeley Lab 81439 pdg 10,000 Particle Data Group
Zyla, Piotr Berkeley Lab 81454 e871 150,000 HyperCP (FNAL E871)