2007 Initial Allocations Awards
The following table lists the initial allocation awards for NERSC for the 2007 allocation year (Jan 9, 2007 through Jan 7, 2008). The list is in alphabetical order by the last name of the Principal Investigator.If you have any questions about your allocation, see NERSC Allocation Managers.
Note - Letters following the repository name indicate the following:
| `S' | NERSC Startup award |
|---|---|
| `I' | INCITE award |
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Agarwal, Deborah Berkeley Lab 81665 bwc m510 S 50,000 5,000 Berkeley Water Center (formerly National Center for Hydrology Synthesis) Agarwal, Deborah Berkeley Lab 82063 mpdsd 10,000 100,000 CRD Distributed Systems Department Guest Accounts Al-Jassim, Mowafak NREL 81838 mp308 40,000 500 Theoretical simulations of effects of extended and point defects on the properties of advanced materials Aldering, Greg Berkeley Lab 81988 m112 20,000 1,000,000 The Nearby Supernova snfactry Factory Alhassid, Yoram Yale Univ 81906 mp69 100,000 500 Statistical Many-Body Studies of Nuclei and Quantum Dots Alivisatos, Paul Berkeley Lab 81933 m387 250,000 5,000 Theory of nanostructured materials Andersen, Richard Berkeley Lab 82473 m782 S 30,000 250 Quantum Mechanical Studies of how Organometallic compounds of the actinide metals utilize their 5f and 6d orbitals in bonds to CO and related ligands Andricioaei, Ioan U. Michigan 82182 m739 S 20,000 1,000 The Energetics of DNA Supercoil Relaxation by Human Topoisomerase I Arons, Jonathan UC Berkeley 81995 m677 50,000 25,000 Particle acceleration in astrophysical collisionless shocks Aspuru-Guzik, Alan Harvard Univ 82088 m702 S 20,000 3,000 Computational study of hydrogen transport in polymer electrolyte membranes embedded in nanopores. Atherton, Cynthia Livermore Lab 81887 mp163 100,000 40,000 Atmospheric Formation, Transformation, and Radiative Forcing of Acid- Catalyzed Secondary Organic Aerosols Aydemir, Ahmet U. Texas 81757 mp77 24,000 1,500 Comprehensive modelling Austin and transport studies at the Institite for Fusion Studies
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Babikov, Dmitri Marquette 81950 m409 80,000 15,000 Coherent Control of Ground Univ Electronic State Molecular Dynamics: Toward Bond Selective Chemistry. Baer, Ferdinand U. Maryland 81817 mp188 20,000 4,000 Multiresolution climate modeling with the spectral element method Bagchi, Prosenjit Rutgers Univ 82597 m798 S 20,000 2,000 Massively large simulation of dense suspension of deformable particles/drops/bubbles Bailey, David Berkeley Lab 81694 mp207 25,500 100 Experimental Mathematics and High-Precision Software Bailey, David Info Sciences 81695 m88 212,500 1,000 The Performance Inst Engineering Research Institute Balaji, V Princeton 82155 m743 3,700,000 5,000 Coupled High-Resolution Univ Modeling of the Earth System Balasubramanian, Krishnan CSU East Bay, 82107 m719 20,000 500 Electronic Structure of Hayward Tranisition Metal Clusters and Environmental Actinide Complexes Balbuena, Perla Texas A&M 81938 m249 600,000 5,000 Computational chemistry Univ search of efficient catalysts Balbuena, Perla Texas A&M 81941 m668 100,000 2,500 Catalyzed growth of carbon Univ nanotubes Bansil, Arun Northeastern 81725 m225 20,000 2,000 Correlation Effects, Magnetism, and Spectroscopy of Complex Materials, including Nanosystems Barad, Michael Stanford Univ 81613 m502 50,000 10,000 Multiscale Simulations of Oceanic Internal Gravity Waves Baron, Edward Brookhaven 81704 mp90 200,000 12,000 Synthetic Spectra of Lab Astrophysical Objects Batista, Victor Yale Univ 82004 mp311 300,000 1,000 Simulations of electron- hole relaxation dynamics on functionalized TiO2- anatase surfaces Batista, Victor Yale Univ 82032 m410 90,000 1,000 QM/MM Studies of High- Valent Manganese Complexes Behling, Pat U. Wisc. 81974 m285 75,000 30,000 Towards the prediction of Madison decadal to mult-century processes in a high- throughput climate system model Bell, John Berkeley Lab 81691 mp111 300,000 3,000,000 Applied Partial Differential Equations Center Bemis, Paul Fluent Inc. 82074 incite10 I 166,000 15,000 CAE Simulation of full vehicle Windnoise and other CFD phenomena Benedek, Roy Argonne 81714 mp169 75,000 500 First Principles Calculations for Lithium Battery Electrodes and Electrode Coatings Bentz, Jonathan Ames Lab 81989 m654 S 20,000 500 Development and Performance Testing of Computational Chemistry Software Bertsch, George U. Washington 81729 m308 664,000 10,000 Low-Energy Nuclear Physics National HPC Initiative: Building a Universal Nuclear Energy Density Functional Bethel, Edward (Wes) Berkeley Lab 81686 m636 20,000 250,000 SciDAC2 Visualization and Analytics Center for Enabling Technologies Bhattacharjee, Amitava U. New 81828 m148 400,000 60,000 Magnetic Reconnection Code Hampshire Boman, Erik Sandia Lab NM 81793 m708 S 20,000 1,000 Large-scale load balancing for scientific computing. Bonoli, Paul Oak Ridge 81664 m77 50,000 1,000 Center for Simulation of Wave-Plasma Interactions: SciDAC Project Borrill, Julian Berkeley Lab 81830 mp107 290,000 50,000 Cosmic Microwave Background Data Analysis For Sub-Orbital Experiments Borrill, Julian Berkeley Lab 81831 planck 500,000 500,000 Cosmic Microwave Background Data Analysis For The Planck Satellite Mission Bowman, Joel Emory Univ 81991 m651 450,000 2,000 Theoretical studies of combustion dynamics Braams, Bastiaan Emory Univ 82025 m631 200,000 2,000 Hydrocarbons in plasma Branstetter, Marcia Oak Ridge 81998 m543 S 10,000 1,000 River Transport and Hydrology in CCSM Brieger, Leesa Renaissance 82144 m736 S 40,000 5,000 Impact of Cumulus Comp Inst Parameterization Schemes on 4 km Simulations Bringa, Eduardo Livermore Lab 81943 mp43 50,000 15,000 Microstructure evolution in irradiated materials Brown, Eric Northwestern 82053 m597 20,000 50 Ab Initio Study of the Nonlinear Optical Response Properties of Extended Chromophores Brown, Virginia MIT 81824 m173 2,000 1,000 Electroweak and Electromagnetic Interactions in the Nucleon-Nucleon System; Pion Production Bruhwiler, David Tech-X Corp 81993 m327 50,000 1,000 Parallel Simulation of Electron Cooling Physics and Beam Transport Bulgac, Aurel U. Washington 82013 m680 200,000 500 Finite Temperature Properties of Fermions in the Unitary Regime Burns, Patrick Colorado 82112 m723 S 10,000 5,000 Processing National Animal State Identification System Data
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Cai, Wei UNC Charlotte 81731 m495 65,000 1,000 Study Optical Coupling by Evanescent WGM's Between Microresonators Using Discontinuous Galerkin Methods Cameron, Kirk Virginia Tech 81722 m571 S 20,000 500 DOE ECPI: Ultra-Scale Memory Analysis for High- End Computing Cameron-Smith, Philip Livermore Lab 81975 m411 200,000 170,000 Interaction of Atmospheric Chemistry and Aerosols with Climate Canning, Andrew Berkeley Lab 82027 m126 195,000 20,000 Mathematical/Computational Methods for Electronic Structure Codes in Nanoscience Canning, Andrew Berkeley Lab 82031 m619 S 20,000 500 EAD289C UC Davis graduate course in Computational Modelling Cary, John U. Colorado 81901 m662 20,000 100 Accelerator Cavities using Boulder Photonic Crystals Cary, John Argonne 81976 m675 20,500 100 Cherenkov Radiation in Metamaterials Cattaneo, Fausto U. Chicago 82045 m557 70,000 50,000 Magneto-rotational instability and turbulent angular momentum transport Cessi, Paola Scripps Inst 82083 m699 85,000 1,000 The role of eddies in the maintenance of deep stratification and mean overturning circulation Chan, Yuen-Dat Berkeley Lab 81807 majorana 20,000 Majorana - Neutrinoless Double Beta Decay Chan, Yuen-Dat Berkeley Lab 81832 babar 60,000 Storage for Nuclear e895 Physics Computations using e896 PDSF at NERSC mp46 na49 nsd rhicthry sno Chang, Choong-Seock Courant Inst 81936 m499 1,250,000 10,000 Center for Plasma Edge Simulation: SciDAC FSP Prototype Center Chelikowsky, James U. Texas 81759 m175 130,000 5,000 Electronic, Magnetic and Austin Structural Properties of Localized Systems Chelikowsky, James U. Texas 81827 m433 175,000 5,000 Scalable Methods for Austin Electronic Excitations and Optical Responses of Nanosctructures: Mathematics to Algorithms to Observables Chen, Jacqueline Sandia Lab CA 82008 mp241 500,000 1,000,000 Direct Numerical Simulation of Turbulent Nonpremixed Flames Chen, Liu UC Irvine 81867 m92 150,000 2,000 Nonlinear Instability and Transport Computations Chen, Yang U. Colorado 81617 mp118 700,000 1,000 Gyrokinetic simulation of Boulder plasma microturbulence and kinetic MHD phenomena Chen, Yixin Washington 82106 m718 S 20,000 3,500 Efficient Large-Scale Univ StLouis Nonlinear Constrained Optimization Using Constraint Partitioning Cheng, Hai-Ping U. Florida 81910 mp261 282,000 2,000 Multiscale Simulations of Particle-, Molecule- Surface Interactions and simulations of nanowires: Structure, dynamics, and quantum transport Childs, Hank Livermore Lab 82090 visit S 5,000 100 VisIt Ching, Wai-Yim U. Missouri 81893 mp250 300,000 500 Theoretical Studies of the KC Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials Chou, Mei-Yin Georgia Tech 81822 mp258 70,000 5,000 First-Principles Investigation of Complex Materials Properties Chou, Mei-Yin Georgia Tech 81913 m663 60,000 4,000 Phase Stability and Reaction Dynamics of Metal Hydrides Chrzan, Daryl Berkeley Lab 81937 mp110 70,000 500 Computational Materials Science Chu, Jhih-Wei UC Berkeley 82479 m787 S 20,000 2,000 Multiscale Molecular Modeling of Collagen Fibers and its Superstructures Chuang, Catherine Livermore Lab 81756 m428 100,000 70,000 Aerosol Forcings and Consequences on Climate Changes Clark, Aurora Washington 82101 m712 20,000 2,000 Electronic Structure and State Classical Simulations of U(VI) Silicates Cohen, Bruce Livermore Lab 81706 gc3 800,000 10,000 Magnetic Fusion Plasma Microturbulence Project Cohen, Bruce Livermore Lab 81708 mp2 150,000 35,000 LLNL MFE Supercomputing Cohen, Marvin Berkeley Lab 81637 mp173 230,000 10,000 Ab Initio Prediction of Structural and Electronic Properties of Materials Colvin, Michael UC Merced 82139 m732 20,000 100 Comparative Study of Unstructured Proteins Using All-Atom and Coarse- Grained Molecular Dynamics Compo, Gil U. Colorado 82077 incite11 I 2,000,000 300,000 The 20th Century Boulder Reanalysis Project Comstock, Jennifer PNNL 82134 m738 20,000 5,000 Cloud Resolving Modeling of Tropical Deep Convection Cummings, Peter Vanderbilt 81790 mp138 75,000 1,000 Molecular-Based Simulation Univ of Complex and Nanostructured Fluids Cummings, Peter Oak Ridge 81979 m526 300,000 1,000 Computational Resources for the Nanomaterials Theory Institute at the Center for Nanophase Materials Sciences Cummings, Peter Oak Ridge 82033 m535 90,000 500 Large scale quantum transport: a leap towards realistic length scales for molecular electronic devices. Curtiss, Larry Argonne 81977 m440 50,000 100 Catalytic Reaction Mechanisms in Nanoporous Membranes
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
D'Ippolito, Daniel Lodestar 81749 m376 10,000 500 Edge, SOL and Divertor Corp. Modeling Daggett, Valerie U. Washington 81720 m559 80,000 50,000 Molecular Dynameomics Davidson, Ronald PPPL 81724 m74 90,000 10,000 Nonlinear Delta-f Particle Simulation of Collective Effects for Heavy Ion Fusion Drivers and High Intensity Particle Accelerators Davidson, Ronald PPPL 81978 m314 50,000 500 Simulations of Field- Reversed Configuration and Other Compact Tori Plasmas Daw, Murray Clemson Univ 81834 m638 30,000 500 Theoretical modeling of thermoelectric materials De Jong, Wibe PNNL 81611 mp15 24,000 500 EMSL Molecular Science Software Development and Benchmarking DeWeaver, Eric U. Wisc. 81929 m431 50,000 10,000 Diagnostic research and Madison development: Dynamics of Arctic climate and atmospheric circulation in AMIP, CMIP, and National Assessment Integrations. Dean, David Oak Ridge 81823 m203 400,000 500 Computational nuclear many-body problem Dean, Michael Nat Inst 82113 m724 S 20,000 2,000 Using HapMap Data for Health Human Recombination Mapping Demmel, James UC Berkeley 81747 mp156 65,000 10,000 Linear Algebra Algorithms on High Performance Computers Demmel, James Berkeley Lab 81999 mp309 S 50,000 100 Class Account for UCB CS267 / CS194 "Applications of Parallel Computing" Derenzo, Stephen Berkeley Lab 81954 m551 200,000 10,000 Electronic structure calculations of new scintillator materials Diachin, Lori Livermore Lab 82606 m802 S 5,000 100 Iteroperable Technologies for Advanced Petascale Simulations Dimitrov, Dimitre Tech-X Corp 81909 m446 20,000 5,500 3D Modeling of an Electron Gun with a Diamond Amplifier Ding, Chris Berkeley Lab 81997 mp153 30,000 500 Development of Community Climate System Model Dobrovitski, Viatcheslav Ames Lab 81819 m652 95,000 700 Quantum control of spin dynamics Doniach, Sebastian Stanford Univ 81947 mp219 20,000 100 Kinetic pathways for protein misfolding and amyloid formation Dorland, William U. Maryland 81965 mp217 500,000 70,000 Turbulence, Transport and Magnetic Reconnection in High Temperature Plasma Downing, Kenneth Berkeley Lab 81660 m573 82,000 5,000 DNA packaging in phage Doyle, Patrick MIT 82105 m717 S 20,000 2,000 Mesoscale DNA simulations Drake, John Oak Ridge 82002 m659 435,000 40,000 A Scalable and Extensible Earth System Model for Climate Change Science Drazer, German Johns Hopkins 81796 m520 100,000 5,000 Molecular Simulations of Univ Transport in Micro/Nanofluidic Devices Dunietz, Barry U. Michigan 82000 m467 20,000 100 Ab-initio design of molecular scale devices and materials for alternative fuel technology. Dupuis, Michel PNNL 81742 m544 30,000 1,000 Charge Transfer, Transport, and Reactivity in Complex Environments. Dupuis, Michel PNNL 82110 m722 20,000 2,000 Computational Photocatalysis on TiO2: Charge Transport, Structure, and Reactivity Dutoi, Anthony Northwestern 82621 m809 S 30,000 2,000 The Electron Dynamics behind Molecular High Harmonics Generation
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Elster, Charlotte Ohio Univ 81805 mp20 50,000 500 Three Nucleon Scattering and Bound State Calculations in Three Dimensions Esarey, Eric Berkeley Lab 81960 mp278 110,000 100,000 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 81760 m474 40,000 100 Polymers in confined geometries Fawley, William Berkeley Lab 81761 mp197 3,000 100 Numerical Simulation of Short-Wavelength Free- Electron Lasers for Future Light Sources Felmy, Andrew PNNL 82018 mp119 200,000 500 Computational Studies in Molecular Geochemistry Feng, Wu-chun Virginia Tech 82114 m725 20,000 2,000 Scalable Genomic-Search Software Architectures Fischer, Charlotte Vanderbilt 81726 mp52 500 Theoretical studies of Univ atomic transitions Fleming, Graham Berkeley Lab 81919 mp364 10,000 5,000 Simulations of non-linear optical spectra and energy transfer dynamics of photosynthetic light- harvesting complexes and reaction centers. Fox-Rabinovitz, Michael U. Maryland 81813 m527 100,000 100,000 Decadal Climate Studies with Enhanced Variable and Uniform Resolution GCMs Using Advanced Numerical Techniques Franceschetti, Alberto NREL 81921 m352 40,000 100 Electronic excited states in semiconductor quantum dots Frank, Joachim Wadsworth 81851 m316 300,000 500 Correlative Cryo-EM and Center Molecular Dynamics Simulations of Ribosomal Structure Freedman, Stuart Berkeley Lab 81682 kamland 3,000,000 Data Analysis and Simulations for KamLAND Freedman, Stuart UC Berkeley 81859 cuore S 5,000 Data Analysis and Simulation for the CUORE Neutrinoless Double Beta Decay Experiment Freeman, Arthur Northwestern 81857 mp134 350,000 1,000 Electronic Structure and Novel Properties in Complex Oxides and Hetero- interfaces Friedman, Alex Livermore Lab 81739 mp42 150,000 6,000 Simulation of intense beams for heavy-ion fusion Fung, Inez UC Berkeley 81638 m189 50,000 20,000 Carbon-Climate Interactions Furman, Miguel Berkeley Lab 81803 mp93 2,500 2,000 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 81946 m542 200,000 1,000 First principles simulations of nanostructures Gao, Michael Carnegie 82612 m806 S 20,000 100 First Principles Design of Mellon Al Alloys of High Corrosion Resistance Garfinkel, Alan UCLA 81898 m287 20,000 10,000 Mathematical Modeling of Cardiac Arrhythmias Garrett, Bruce PNNL 81966 mp329 250,000 500 Chemical reactivity, solvation and multi- component heterogeneous processes in aqueous environments Gascon, Jose U. 81746 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. Gatica, Silvina Howard Univ 81884 m667 S 17,000 550 Molecular Adsorption in Nanostructures Geddes, Cameron Berkeley Lab 81982 incite7 1,140,000 20,000 Particle in cell m558 simulation of laser wakefield particle acceleration Geissler, Phillip UC Berkeley 81837 m628 40,000 2,500 Rare but dramatic evolutionary events in a microscopic model of protein-like chain molecules Gel, Aytekin Morgantown 81996 m507 S 20,000 1,000 Benchmarking of OpenFOAM ETC with TAU performance profiling tool and Performance Comparison with MFIX Ghoniem, Ahmed MIT 81800 mp218 50,000 7,000 Lagrangian Simulation and Optimization of Turbulent Mixing and Combustion Glaser, Donald UC Berkeley 81709 m460 20,000 100 Excitable Neuronal Array Models of the Human Visual System Glimm, James SUNY Stony 82016 mp123 52,000 18,000 Front Tracking Simulations Brook of DOE SciDAC priority Problems Glotzer, Sharon U. Michigan 82029 m682 150,000 100 Computational Study of the Effect of Anisotropy on Self-Assembly of Polymer Tethered Nanoparticles Gohar, Yousry Argonne 81882 m259 1,000 500 ANL Fusion Program Goldschmidt, Yadin U. Pittsburgh 81678 m516 30,000 1,000 Simulations of flux lines in high temperature superconductors with random pins Gratta, Giorgio Stanford Univ 81973 saund S 5,000 Study of Acoustic Underwater Neutrino Detection Gray, Stephen Argonne 81809 m430 55,000 5,000 Nanoscale Electrodynamics Gray, Stephen Argonne 81810 mp166 72,000 7,000 Quantum Dynamics of Chemical Reactions Greene, Chris U. Colorado 81896 mp318 40,000 100 Molecular Dissociation by Boulder Electron Impact Grossman, Jeffrey UC Berkeley 81854 m655 80,000 10,000 Quantum Simulations of Nanoscale Solar Cells Guo, Hua U. New Mexico 82037 m627 50,000 100 Quantum dynamics of combustion reactions Guo, Jinghua Berkeley Lab 82093 m705 S 20,000 2,000 Electronics structure study of hydrogen adsorption on carbon nanotubes and conductivity in DNA Gutowski, William Iowa State 81892 m612 50,000 18,000 Continuous Dynamic Grid Adaptation in a Global Atmospheric Model
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Haas, Stephan U. South 82046 m157 100,000 100 Magnetic Fields and California Disorder in Quantum Spin Systems Hamilton, Edward Northwestern 81839 m370 20,000 100 Revival structures in laser-aligned rotational wave packets, including three-dimensional alignment using elliptical polarization Hammond, Jeff U. Chicago 81804 m614 S 20,000 100 Large-Scale Semidefinite Programming Calculations for Molecular Electronic Structure Harmon, Bruce Ames Lab 81865 mp344 90,000 500 Electronic and structural properties of surfaces and interfaces Harmon, Bruce Ames Lab 81878 mp101 20,000 100 Photonic Band Gap Materials Harris, Charles UC Berkeley 81806 m399 180,000 500 Computational Modeling and Simulation of Organometallic Complexes in Solution Head-Gordon, Martin Berkeley Lab 81924 mp54 500,000 1,000 Electronic structure and simulation calculations of reactive chemical systems Head-Gordon, Teresa UC Berkeley 81872 mp53 65,000 500 New Global Optimization Approaches for Protein Structure Prediction Head-Gordon, Teresa Berkeley Lab 81874 m506 275,000 500 Influence of Co-Solvents and Temperature on Nanoscale Self-Assembly of Biomaterials Head-Gordon, Teresa UC Berkeley 81875 m657 20,000 500 Advanced Theoretical Models to Characterize the Alzheimers Abeta Peptide Head-Gordon, Teresa Berkeley Lab 82095 m707 S 5,000 100 BE143/243: Class competition in Global Optimization Held, Eric Utah State 81885 m127 50,000 2,000 Application of Parallel Kinetic Closures in NIMROD for Fusion Plasma Simulations Hingerty, Brian Oak Ridge 81870 mp106 2,000 1,000 Crystallographic, NMR and Molecular Modeling Calculations of Carcinogen Modified DNA, Protein-DNA Complexes and Cyclodextrin Inclusion Complexes Ho, Kai-Ming Ames Lab 81914 m529 80,000 600 Multiscale Studies of the Formation and Stability of Surface-Based Nanostructures (a CMSN Project) Holbrook, Steve Berkeley Lab 81712 m565 100,000 5,000 MAGGIE Bioinformatics: A Multi-level Description of the Protein Interaction Network Hwang, David UC Davis 82615 m807 S 20,000 500 Computer Simulation of the UC Davis Compact Toroid (CTIX) Accelerator
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Im, Hong U. Michigan 81897 m217 1,000,000 7,000 High-Fidelity Direct Numerical Simulations of Turbulent Combustion - Compression Ignition under HCCI Conditions and NOx Formation in Turbulent Jet Flames Im, Hong U. Michigan 82076 incite12 I 1,000,000 15,000 Direct Numerical Simulation of Turbulent Flame Quenching by Fine Water Droplets Izzo, Valerie General 81640 m455 300,000 100 Disruption and disruption Atomics mitigation simulations
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Jacobs, Peter Berkeley Lab 81782 alice 120,000 Simulations for the ALICE experiment at LHC Jap, Bing Berkeley Lab 81968 m389 50,000 100 Molecular Dynamics Simulations of Water Transport through Water Channels Jardin, Stephen PPPL 81801 mp286 100,000 10,000 Analysis and Design of Stellarator Configurations Jardin, Stephen PPPL 81923 mp287 100,000 36,000 Pellet Injection in Tokamaks using AMR Jardin, Stephen PPPL 81926 mp288 1,500,000 15,000 3D Extended MHD simulation of fusion plasmas Jellinek, Julius Argonne 81845 m196 60,000 500 Structure, Energetics and Dynamics of Metal, Including Alloy, Nanoparticles; Interactions of Clusters with Molecules and Surfaces Ji, Chueng Ryong North 81730 m230 5,000 100 Quantum Chromodynamic Carolina Analysis of Hadron State Structure and Application to Cosmology Jiang, De-en Oak Ridge 82082 m697 20,000 300 Computational study for chemistry of novel separations Johnson, Donald U. Wisc. 81877 m167 20,000 12,000 Modeling and Analysis of Madison Global and Regional Hydrologic Processes and Appropriate Conservation of Moist Entropy Juang, Hann-Ming Henry NOAA 82052 m685 S 20,000 5,000 Ensemble Regional Seasonal Forecast over USA by NCEP Regional Spectral Model Judd, Eleanor UC Berkeley 81945 euso 2,000 Extreme Universe Space Observatory
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Kalinichev, Andrey U. Illinois 81990 m645 20,000 1,000 Molecular Dynamics of U-C Geologically Important Fluids and Mineral-Fluid Interfaces Karplus, Martin Harvard Univ 81643 gc8 300,000 35,000 Molecular simulations of conformational dynamics and its role in motor proteins, structure- function relationship, binding thermodynamics, signal transduction, DNA replication error correction, and catalysis in biological systems Katsouleas, Thomas U. South 81698 mp275 90,000 1,000 Program for Plasma-Based California Concepts for Future High- Energy Accelerators Ketterson, John Northwestern 82604 m800 S 15,000 100 Sensors based on plasmon- resonant hole arrays Keyes, David Columbia Univ 81843 m125 6,500 100 Towards Optimal Petascale Simulations Kim, Kwiseon NREL 81764 m322 97,500 1,000 Nanoscience Parallel Optimization Algorithms Kim, Kwiseon NREL 81765 m514 30,000 2,000 Electronic structure and reactivity of FeFe- hydrogenase metalloclusters Klein, Richard UC Berkeley 81802 m231 50,000 80,000 Toward a Comprehensive Theory of Star Formation Klein, Spencer Berkeley Lab 81868 icecube 5,000 Simulation and Analysis for IceCube Ko, Kwok SLAC 81791 m349 290,000 2,000 Advanced Modeling for High Energy Accelerators Kogan, Boris UCLA 81737 mp66 20,000 100 Ca-induced early afterdepolarizations in cardiac arrhythmias and fibrillation in simulated tissue. Konerding, David Berkeley Lab 81879 m553 50,000 1,500 How does Topoisomerase I straighten bent DNA: Extended Molecular Dynamics Simulations of Topoisomerase I bound to curved DNA Koplik, Joel City College 81715 mp247 20,000 20,000 Particulate transport in NY self-affine fractures Kotamarthi, V. Rao Argonne 81776 m184 20,000 500 High-Spatial Resolution Models of Atmospheric Chemistry, Aerosols for Regional Scale Climate Simulations Krakauer, Henry William & 81904 m393 100,000 30,000 Quantum Monte Carlo Mary studies Kral, Petr U. Illinois 81652 m624 20,000 500 Molecular dynamics studies Chicago of transport phenomena in hybrid nanoscale systems Kramer, William NERSC 81609 noexp 20,000 100,000 NERSC overhead account for norepo users with no active repo Kramer, William Berkeley Lab 82067 mphpcd 10,000 5,000 NERSC High Performance Computing Department Guest Accounts Kritz, Arnold Lehigh Univ 81789 m649 100,000 30,000 Integrated modeling simulations for the plasma edge Kronik, Leeor Weizmann Inst 82103 m716 20,000 2,000 GW calculations of Science magnetic materials Krueger, Steven U. Utah 81812 m205 30,000 5,000 Simulating Cloud Systems Kruger, Scott Tech-X Corp 81655 mp21 1,000,000 18,000 NIMROD Project: Extended Magnetohydrodynamic Modeling for Fusion Experiments Kruger, Scott Tech-X Corp 82026 m681 75,000 100,000 Fusion Application for Core-Edge Transport Simulations Kuriyan, John UC Berkeley 81907 m37 80,000 2,000 Computational investigations of proteins involved in cell signaling and DNA replication Kwon, Young-Kyun UMass Lowell 81677 m599 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 81930 m238 20,000 500 Theoretical Calculation of Water Vapor Continuum Absorption Lamarque, Jean-Francois NCAR 81962 m330 200,000 7,000 Simulation of 20th-century and 21st-century climate with interactive chemistry in CAM3: identifying the role of climate in driving observed trends and in affecting air quality Lamb, Don U. Chicago 82078 incite13 I 2,500,000 250,000 Study of the Gravitationally Confined Detonation Mechanism for Type Ia Supernovae Landman, Uzi Georgia Tech 81745 mp97 120,000 25,000 Quantum and classical simulations of clusters, self-assembly. nano-scale manupulations, nanotribology, and biological processes Langston, Michael U. Tennessee 82352 m760 S 10,000 100 Scalable Computational Methods for the Analysis of High-Throughput Biological Data Leboeuf, Jean-Noel UCLA 81626 mp201 10,000 35,000 Turbulent and MHD behavior of plasmas Leboeuf, Jean-Noel U. Alaska 81627 m616 50,000 5,000 Gyrokinetic Studies of Non-Diffusive Transport Leboeuf, Jean-Noel UCLA 81628 m414 500,000 25,000 Fusion Science Center For Multiscale Plasma Dynamics Leboeuf, Jean-Noel UCLA 81641 mp28 100,000 20,000 Fusion Plasma Modeling Using 3-D Particle-In-Cell Simulations at UCLA Lee, Frank George Wash 81663 m102 600,000 400,000 Excited Baryon Physics Univ from Lattice QCD Lee, Patrick MIT 81894 m525 50,000 2,000 Spin Liquid in honeycomb lattice Lee, T. S. Harry Jefferson Lab 81808 m615 300,000 500 Dynamical Coupled-channel Analysis of Nucleon Resonances at Excited Baryon Analysis Center Lee, Wei-li PPPL 81787 mp19 3,000,000 50,000 Center for Gyrokinetic Particle Simulations of Turbulent Transport in Burning Plasmas and Multiscale Gyrokinetics Lester, William Berkeley Lab 81671 m518 200,000 8,000 Application of Quantum Monte Carlo Methods to Biological Systems Lester, William Berkeley Lab 81672 mp208 450,000 2,000 Quantum Monte Carlo for Electronic Structure of Molecules Leung, Lai-Yung Ruby PNNL 81964 m546 50,000 10,000 North American Regional Climate Change Assessment Project (NARCCAP) Leung, Mary Ann U. Washington 82019 m382 80,000 3,000 Numerical studies of the Bose Einstein Condensate in multiple wells Li, Rui Jefferson Lab 81963 mp159 5,000 100 Effects of Coherent Synchrotron Radiation on Accelerator Performance and beam-beam simulations Li, Rui Jefferson Lab 82118 m728 20,000 500 Computer simulation studies of electron cooling and beam-beam interaction for the Electron-Ion Collider based on CEBAF Lin, Shi Ying U. New Mexico 82157 m740 S 20,000 2,000 Quantum dynamical study for photodissociation of NH3 Lin, Yu Auburn Univ 81732 m206 40,000 100 Gyrokinetic Electron and Fully Kinetic Ion Particle Simulations of Collisionless Magnetic Reconnection Lin, Zhihong UC Irvine 82620 m808 S 50,000 5,000 SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulenc and Transport Liu, Feng U. Utah 81883 m284 150,000 2,000 Tuning of Band Gap and Charge Carrier Mobility by Strain Engineering and Mechanical Modification of Organic Semi-Conducting Molecules Liu, Keh-Fei U. Kentucky 81792 mp7 800,000 1,200,000 Lattice QCD Monte Carlo Calculation of Hadron Structure and Spectroscopy Livny, Miron U. Wisc. 81985 m670 osg 64,000 200,000 Extending the Open Science Madison Grid Loken, Stewart Berkeley Lab 81934 atlas 40,000 Simulation of ATLAS Physics Loken, Stewart Berkeley Lab 81935 atlasdc 250,000 ATLAS Data Challenges Long, Charles PNNL 82115 m726 20,000 2,000 Simulating the tropical cloud-climate interactions during the TWPICE experiment period with the weather research and forecasting model Louie, Steven Berkeley Lab 81636 mp149 220,000 20,000 Computation of Electronic Properties of Materials from First Principles Loveland, Walter Oregon State 81635 m136 20,000 150,000 Calculation of Relativistic and Electron Correlation effects for systems of superheavy elements(SHE)using Relativistic Coupled- Cluster method. Luk, Kam-Biu Berkeley Lab 81915 dayabay 25,000 Daya Bay Reactor Neutrino Experiment
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Ma, Chung-Pei UC Berkeley 81911 m289 20,000 2,000 Evolution of Massive Galaxies and Black Holes Maclin, Arlene Norfolk State 81649 m626 S 10,000 100 A Theoretical Investigation of the Optical Electronic and Mechanical Properties of Select Nanostructures Makino, Kyoko Michigan 81983 m509 70,000 50,000 Modern Map Methods in State Particle Beam Physics Manson, Steven Georgia State 81710 m497 40,000 2,000 Inner and Outer shell Photoabsorption by Positive and Negative Ions and Neutral Atoms Mao, Shaolin NCAR 81753 m646 S 20,000 5,000 Numerical simulation of sub-canopy drainage flow and their influence on above-canopy measurements Marques, Osni Berkeley Lab 81889 m340 21,500 100 Installation, Testing and Evaluation of ACTS Tools Mascarenhas, Angelo NREL 81825 mp306 50,000 5,000 Electronic structure of non-conventional semiconductor alloys and nanostructures Masunov, Artem U. Central 81798 m513 100,000 1,000 Design of nonlinear Florida optical materials with enhanced two- and three- photon absorbing properties Mavrikakis, Manos U. Wisc. 81814 mp351 500,000 100 First-Principles Catalyst Madison Design for Environmentally Benign Energy Production McCurdy, C. William Berkeley Lab 81767 mp74 25,000 1,500 Electron and Photon Collisions with atoms and molecules McMahon, William NREL 81852 m147 50,000 500 As/Ge Surface Structures Medvedeva, Julia U. Missouri 82142 m742 30,000 2,000 Multicomponent oxides as Rolla novel transparent conductors Mei, Donghai PNNL 82382 m761 S 20,000 1,000 First principles based modeling of substrate effect on reactivity of supported transition metal oxide catalysts Menon, Surabi Berkeley Lab 81758 m464 1,000 500 Cloud Physics Parameterizations for arctic stratus and convective cloud systems Meza, Juan Berkeley Lab 82072 mphpcrd 20,000 500,000 CRD High Performance Computing Research Department Guest Accounts Mezzacappa, Anthony Oak Ridge 81931 mp124 100,000 50,000 Shedding New Light on Exploding Stars: TeraScale Simulations of Neutrino- Driven Supernovae and Their Nucleosynthesis Mikkelsen, David PPPL 81925 m64 500,000 3,000 Experimental Tests of Gyrokinetic Simulations of Microturbulence Militzer, Burkhard UC Berkeley 82220 m744 S 20,000 100 Hydrogen-Helium Mixture at Interiors of Giant Gas Planets Miller, Doug UNC Asheville 82042 m550 S 20,000 2,500 Forecasting Coupled Meteorology and Air Quality at Very High Resolutions Miller, William UC Berkeley 82061 mp14 200,000 200 Semiclassical approaches for condensed matter dynamics and quantum instanton model for molecular reaction dynamics Mori, Warren UCLA 81908 mp113 330,000 50,000 continuing studies of plasma based accelerators Mori, Warren UCLA 82041 m412 225,000 20,000 Investigations of fast ignition physics and extreme states of matter Mori, Warren UCLA 82075 incite14 I 1,000,000 10,000 Petascale Particle-in-Cell Simulations of Plasma Based Accelerators Morris, James Oak Ridge 81728 m435 35,000 500 Atomistic modeling of novel alloy behavior Muckerman, James Brookhaven 82127 m729 20,000 500 Catalyzed Water Oxidation Lab by Solar Irradiation of Band-Gap-Narrowed Semiconductors Mukamel, Shaul UC Irvine 82047 m639 20,000 2,000 Probing Vibrational and Electronic Dynamics through Nonlinear Spectroscopy Mundy, Christopher Livermore Lab 81940 m452 125,000 100 Unraveling the Mysteries of the Phase Diagram of Water Using First Principles Methods and Tera-scale Computing Resources Murad, Paul Defense 81610 m602 S 10,000 500 Closed Form Solution to Intell Agency Navier-Stokes equations to Include Magnetohydrodynamic (MHD) Flows
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Najm, Habib Sandia Lab CA 81721 m401 52,000 500 A Computational Facility for Reacting Flow Science Najmabadi, Farrokh UC San Diego 82017 mp203 10,000 3,000 Fusion Edge Plasma Analysis for Divertor Design Neff, Jason U. Colorado 82229 m745 S 20,000 2,000 The Role of Boreal and Boulder Arctic Soils in Climate Feedbacks; Model Development and Testing Negele, John MIT 81788 mp133 100,000 133,000 Exploration of Hadron Structure using Lattice QCD Nelson, Brian U. Washington 81619 m489 50,000 4,000 The Plasma Science and Innovation Center Nelson, Brian U. Washington 81928 m172 200,000 4,000 Helicity Injected Torus Current Drive and Compact Toroid Studies Nemeth, Karoly Argonne 81971 m634 20,000 2,000 Parallel Computation for Laser Plasma Interactions at Relativistic Intensities Newman, Gregory Berkeley Lab 81952 m372 200,000 150 Large Scale 3D Geophsycial Inversion & Imaging Ng, Cheuk-Yiu UC Davis 81684 m319 170,000 100 State-of-the-Art ab initio Calculations of Energetics and Spectroscopic Properties of Molecular Neutrals/Cations/Radicals for Comparison with Highly Accurate Experimental Measurements Ng, Esmond Berkeley Lab 81750 mp127 49,000 2,500 High Performance Sparse Matrix Algorithms Nikolopoulos, Dimitrios Virginia Tech 81871 m552 S 5,000 500 MELISSES: Liquid Services for Scalable Multithreaded/Multicore Execution on Emerging Supercomputers Nolen, Jerry Argonne 81849 mp362 340,000 75,000 Radioactive Beam Facilities - Target, Shielding, Fragment Separators and Accelerator Studies Norman, Michael UC San Diego 81863 incite8 300,000 500,000 Precision Cosmology Using m568 the Lyman Alpha Forest Notaro, Michael U. Wisc. 82137 m731 S 20,000 5,000 Ecosystem response to Madison future climate change and the impact of vegetation feedback in the Southwest United States Nozik, Arthur NREL 81783 m72 100,000 10,000 Experimental and Theoretical Studies of Semiconductor Systems for Improved Solar Energy Technologies
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Odette, G. Robert UC Santa 82098 m720 S 20,000 2,000 Properties of Metal/Oxide Barbara Nanoparticle Interfaces in Fusion Structural Materials Oefelein, Joseph Sandia Lab CA 81953 m295 150,000 100 Large Eddy Simulation of Turbulence-Chemistry Interactions in Reacting Flows Ogut, Serdar U. Illinois 81905 m567 100,000 200 Optical Properties of Chicago Noble Metal Clusters from First Principles Oliker, Leonid Berkeley Lab 81717 m650 64,000 100 Scientific Application Performance on Candidate PetaScale Platforms Olson, Doug Berkeley Lab 81799 gc5 ppdg 4,500,000 STAR Detector Simulations rhstar and Data Analysis
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Parvin, Bahram Berkeley Lab 81880 lowdose 200,000 Mechanism of DNA Damage and Repair Nuclear Imaging of Gene Expression Pattison, Martin Metaheuristic 82038 m611 S 20,000 500 Lattice Boltzmann s simulation of magnetohydrodynamic flows Patton, Edward NCAR 81992 m640 20,000 5,000 Influences of the Boundary Layer Flow on Vegetation- Air Exchanges of Energy, Water and Carbon Dioxide Penner, Joyce U. Michigan 81702 mp231 200,000 30,000 Three-dimensional Global Atmospheric Aerosol and Chemistry Modeling Pennycook, Stephen Oak Ridge 81703 mp221 130,000 500 Numerical Simulations of Interfaces, Grain Boundaries, and Nanocrystals Perlmutter, Saul Berkeley Lab 82009 deepsrch 250,000 Optimal Photometric Reduction of Supernova Images for Cosmological Measurements Perlmutter, Saul Berkeley Lab 82035 m219 230,000 200,000 SNAP Simulation and snap Analysis Pfreundt, Franz-Josef Fraunhofer 81916 m282 5,000 500 Integrated Performance ITWM Germany Analysis of Distributed Computer Systems Pieper, Steven Argonne 81918 mp26 20,000 10,000 Exact Calculations of Light Nuclei Using Realistic Interactions Pinar, Ali Berkeley Lab 81841 m674 S 20,000 3,000 Algorithms for Discrete and Continuous Optimization Pindzola, Michael Auburn Univ 81632 m41 1,000,000 8,000 Computational Atomic Physics for Fusion Energy Pivovar, Bryan Los Alamos 82100 m711 S 20,000 2,000 Modeling the head-group Lab degradation in alkaline fuel-cell membranes Plewa, Tomasz U. Chicago 81738 m461 339,000 300,000 Thermonuclear Supernovae: Stellar Explosions in Three Dimensions Potter, Gerald Livermore Lab 81864 mp193 350,000 1,000,000 Program for Climate Model Diagnosis and Intercomparison Pratt, Larry Fisk Univ 82015 incite9 I 150,000 500 Reactions of lithium carbenoids, lithium enolates, and mixed aggregates Primack, Joel UC Santa Cruz 81771 mp363 60,000 250,000 Galaxy Formation Simulations Prinz, Fritz Stanford Univ 81903 m622 90,000 100 Solid oxide materials for next generation renewable energy applications
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Quataert, Eliot UC Berkeley 82081 m698 S 20,000 2,000 Kinetic Simulations of Hot Accretion Flows
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Ram, Abhay MIT 81770 m224 400,000 4,000 Computational studies in plasma physics and fusion energy Randall, David Colorado 81912 m328 750,000 25,000 Global cloud modeling State Rashkeev, Sergey Idaho 81762 m647 50,000 100 Numerical Simulations of National Lab Defects and Chemical Reactions at Surfaces and Interfaces Ratcliff, Jay US Army Corps 81944 m566 700,000 1,000 Coastal Storm Surge Engr MVN Analyses Rauchwerger, Lawrence Texas A&M 81984 m493 13,000 500 SmartApps: Middle-ware for Univ Adaptive Applications on Reconfigurable Platforms Ray, Asok U. Texas 82086 m701 20,000 500 A Fully Relativistic Arlington Density Functional Study of the Role of 5f Electrons in Chemical Bonding in Transuranium Elements Rehr, John U. Washington 81821 mp313 20,000 100 High Performance Computation of Photon Spectroscopies and Electronic Excited States Reichler, Thomas U. Utah 82136 m730 S 20,000 2,000 Dynamics and Variability of the Coupled Stratosphere-Troposphere System Ren, Chuang U. Rochester 82079 incite15 I 2,000,000 20,000 Three-Dimensional Particle-in-Cell Simulations for Fast Ignition Rezayi, Edward CSU Los 81939 m404 50,000 100 Numerical Studies of Angeles Collective Phenomena in Two-Dimensional Electron Systems Riley, Pete SAI San Diego 82085 m700 S 20,000 3,000 High-Resolution Simulations of Coronal Mass Ejections and the Ambient Structure of the Solar Corona Roche, Kenneth Oak Ridge 81994 m397 212,500 5,000 Software Effectiveness Metrics Rollett, Tony Carnegie 81777 mp262 230,000 1,000 Microstructural Evolution Mellon Based on Fundamental Interfacial Properties: a DOE sponsored Computational Materials Science Network Romanowicz, Barbara UC Berkeley 81723 m554 200,000 2,000 Calibration of 3D Upper Mantle Structure in Eurasia Using Regional and Teleseismic Full Waveform Seismic Data Rowan, William U. Texas 81876 mp285 10,000 1,000 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 81873 m342 1,500,000 900,000 Optimizing Genomic Data Storage for Wide Accessibility Ryne, Robert Berkeley Lab 81768 gc2 1,220,000 28,000 Accelerator Community Code Development and Discovery Project
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Saad, Yousef U. Minnesota 82050 m684 20,000 2,000 Pseudopotential Algorithm for Real Space Electronic Calculations Samulyak, Roman Brookhaven 81673 m545 195,000 3,000 Simulation of Free Surface Lab MHD Flows in Tokamak Refueling and Plasma Disruption Mitigation Applications Saykally, Richard UC Berkeley 82059 m696 100,000 5,000 X-ray Absorption Spectra of Aqueous Solutions from First Principles Calculations Schaefer, Henry U. Georgia 81781 m170 200,000 500 Computations of Properties to Chemical Accuracy Schiavilla, Rocco Jefferson Lab 81774 m69 85,000 500 Electro-Weak Structure of Light Nuclei Schuchardt, Karen PNNL 82094 m706 S 20,000 2,000 Community Access to Global Cloud Resolving Model Data and Analyses Schultz, David Oak Ridge 81634 mp48 250,000 1,000 Theoretical Atomic Physics for Fusion Energy Seidel, Edward Louisiana 82043 m152 20,000 Quasinormal mode State excitation of Kerr black holes Seki, Ryoichi CSU 81772 m451 200,000 5,000 nuclear lattice Northridge calculation Sethian, James Berkeley Lab 82039 m621 S 20,000 2,000 Study of Mixing in Geophysical Flows Shang, Shunli Penn State 82012 m679 20,000 5,000 First-principles calculations of phonon, electronic and thermodynamic properties of bonon-containing semicomductors and metals Shapiro, Marjorie Berkeley Lab 81986 fermi 40,000 Physics Analysis of CDF (Collider Detector at Fermilab) Data Shay, Michael U. Delaware 82116 m733 S 20,000 2,000 Kinetic Physics of Magnetic Reconnection Shigemitsu, Junko Ohio State 81653 mp268 2,500 20,000 Heavy-Light Physics with NRQCD Heavy and Improved Staggered Light Quarks Simon, Horst Berkeley Lab 82073 mpnersc 20,000 1,000 NERSC Division Guest Accounts Sinclair, Donald Argonne 81773 mp27 750,000 80,000 Lattice Gauge Theory Simulations Smoot, George Berkeley Lab 82044 astrogfs 60,000 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 81775 m538 50,000 100 Dissociative Adsorption of Reactive Species on BaNaY Zeolites: A Hybrid Quantum Mechanics and Molecular Mechanics Study Snyder, Philip General 81736 mp94 700,000 30,000 Simulation of Magnetically Atomics Confined Fusion Plasmas Sosonkina, Masha Ames Lab 81890 m419 8,500 100 Interoperable software for modern high-performance applications Sovinec, Carl U. Wisc. 81826 mp200 400,000 1,500 Fluid and Hybrid Modeling Madison of Electromagnetic Activity in MFE Plasmas Spera, Frank UC Santa 81899 m178 100,000 6,000 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 81692 mp202 100,000 8,000 Plasma Confinement, Stability, Heating and Optimization in Stellarators and Tokamaks Sposito, Garrison Berkeley Lab 81701 mp47 200,000 4,200 Clay Mineral Surface Geochemistry Sprangle, Phillip Naval 82010 mp343 10,000 100 High Energy Laser-Driven Research Lab Acceleration Based on the Laser Wakefield Accelerator Srinivasan, Ashok Florida State 81961 m512 S 15,000 50 Parallelization of Time in Long-Time Molecular Dynamics Simulations Stocks, G. Malcolm Oak Ridge 81699 m641 1,000,000 10,000 Computational Materials Theory Striolo, Alberto U. Oklahoma 81734 m530 30,000 100 Interfacial Phenomena: Aqueous Systems at Solid- Fluid Interfaces Strohmaier, Erich Berkeley Lab 81840 m283 34,000 100 Performance Characterization and Benchmarking of HPC Systems Sukharev, Maxim Northwestern 81957 m508 20,000 1,000 Optimal control of light in nanoscale: towards smart plasmonic nanodevices
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Tang, Xianzhu Los Alamos 81958 mp204 200,000 1,500 nonlinear studies of Lab magnetically confined plasmas Tang, Xianzhu Los Alamos 81959 m139 100,000 500 Nonlinearly implicit MHD Lab and two-fluids simulation of fusion plasmas Thakur, Bhupender U. Delaware 82051 m673 S 20,000 500 Density Matrix Renormalization Group method for Large scale nuclear structure calculations. Thirumalai, Dave U. Maryland 82091 m704 20,000 2,000 Understanding function of biological nanomachines Tillett, Jason U. Rochester 82602 m799 S 20,000 500 Large Scale Bio-acoustic Propagation Simulator Tokmakian, Robin Naval PS 81659 m528 50,000 1,000 Decadal to century coupled ocean/ice simulations at high resolution (0.20) Toon, Owen U. Colorado 81740 mp192 10,000 4,000 Large-eddy simulations of Boulder aerosol-cloud interactions Toussaint, Doug U. Arizona 81785 mp13 1,560,000 25,000 Quantum Chromodynamics with three flavors of dynamical quarks Tyson, Trevor New Jersey IT 82609 m805 20,000 700 Constrained Structural Optimization of Complex Metal Oxides
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Vahala, George William & 81713 mp32 500,000 15,000 Lattice Boltzmann Mary Simulations for Plasmas Vary, James Iowa State 81970 m94 700,000 10,000 Structure and Reactions of Hadrons and Nuclei; Non- perturbative Solutions of Strongly Interacting Particles and Fields
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Wang, Haobin New Mexico 81689 m93 100,000 100 Quantum Dynamical Study of State Charge and Energy Tranfer Processes in the Condensed Phase Wang, Lin-Wang Berkeley Lab 81902 mp304 180,000 50,000 Large scale nanostructure electronic structure calculations Ware, Andrew U. Montana 81786 mp205 24,000 500 Theory of Turbulent Heat and Particle Fluxes in ExB Shear Flow and Computational Modeling of the Stability of Novel Stellarators Washington, Warren NCAR 81612 mp9 1,560,000 1,132,000 Climate Change Simulations with CCSM3: Moderate and High Resolution Studies Weber, William PNNL 81741 mp148 20,000 1,000 Defects, Defect Processes, and Ion-Solid Interactions in Ceramics Weinert, Michael U. Wisc. 81891 mp330 30,000 500 Electronic Structure of Milwaukee Alloys, Surfaces, and Nanostructures Weitzner, Harold New York Univ 81718 m191 20,000 100 Advanced Stellarator Theory Weitzner, Harold New York Univ 81719 mp338 25,000 1,000 Advanced Toroidal Theory and Computation Wellein, Gerhard RRZ Erlangen 81751 m635 S 20,000 1,000 Application Performance Germany Characteristics of Leading Edge Supercomputers Wen, Zhaofang Sandia Lab NM 81700 m407 8,500 100 BEC library for Unified Parallel C Werthimer, Dan UC Berkeley 81886 seti 1,200,000 Berkeley High Resolution Neutral Hydrogen Sky Survey White, Martin UC Berkeley 81693 m68 50,000 40,000 Constraining dark energy with clusters of galaxies Wilkins, John Ohio State 81707 mp160 140,000 500 Modeling Dynamically and Spatially Complex Materials Williamson, Andrew Livermore Lab 81895 m337 125,000 1,000 First Principles Simulations of Nanostructured Materials under Pressure Woodruff, Simon U. Washington 81778 m633 50,000 3,000 High energy collisions and compression of field reversed configurations Woosley, Stan UC Santa Cruz 81688 m106 1,090,000 100,000 Computational Astrophysics Consortium Wu, Jianzhong UC Riverside 81858 m618 100,000 5,000 Atomic density functional theory for crystal nucleation and growth Wu, Meng-Shiou Ames Lab 81987 m664 S 20,000 100 Computational Quality of Service for Chemistry Software Wu, Ruqian UC Irvine 81697 mp244 81,000 100 First Principles Investigations and Simulations for Catalytic Properties of Metal/Oxide Surfaces Wu, Ruqian UC Irvine 81862 m532 100,000 100 First Principles Exploration for the Origin of Ferromagnetism in Diluted Magnetic Semiconductors Wuebbles, Donald U. Illinois 81811 mp79 20,000 175,000 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
Yan, Yanfa NREL 82108 m721 20,000 400 Theory of metal oxides for potential applications of PEC water spliting Yang, Chao Berkeley Lab 81833 m653 200,000 1,000 Three-dimension Image Reconstruction of Macromolecular Assemblies from Cryo-EM Data Yelick, Katherine Berkeley Lab 81869 mp215 64,000 1,000 UPC and Titanium Yelick, Katherine Berkeley Lab 82003 m683 42,500 1,000 Programming Models and Runtime Support for Scalable Parallel Computing Yeung, Pui-kuen Georgia Tech 81853 m442 200,000 65,000 High-Resolution Simulation of Mixing and Rotation in Turbulent Flow Yu, Rong Berkeley Lab 82056 m686 S 20,000 1,000 Computation of Proton Transfer Mechanisms in Ceramics Yunn, Byung Jefferson Lab 81733 m216 2,000 500 Accelerator Physics Studies of Applications of Superconducting Linacs
Principal Site Request Repo SP HPSS Project Title Investigator Id Hours SRUs
Zapol, Peter Argonne 82014 m441 70,000 100 Soft/hard interfaces in nanomaterials Zapol, Peter Argonne 82030 m548 20,000 100 Computational studies of Electrocatalysis for Low Temperature Fuel Cell Cathodes Zhang, Bin Arkansas 82060 m688 S 20,000 4,000 Dynamics of Relativistic State Heavy Ion Collisions Zhang, Guoping Indiana St U 82102 m713 20,000 200 Ultrafast magnetization in ferromagnets Zhang, Keni Berkeley Lab 81754 m620 S 20,000 100 Numerical investigation of long-term fate of CO2 plumes stored in saline formations Zhang, Shengbai NREL 81784 mp252 250,000 25,000 Doping bottleneck, van der Waals interaction, and novel ordered alloy Zhang, Yeliang U. Arizona 82007 m564 S 20,000 2,000 Physics Aware Optimization Zhang, Yongxin Los Alamos 82040 m613 S 20,000 2,000 Effects of Aerosols on Lab Climate and Climate Change Zhang, Zhenyu Oak Ridge 81948 m108 190,000 100 First principles studies of formation, stability and transport properties of surface based nanostructures Zhu, Ping U. Wisc. 81829 m572 50,000 10,000 MHD Modeling of Nonlinear Madison Ballooning Instabilities in Fusion and Space Plasmas Zunger, Alex NREL 81932 m346 200,000 1,000 Predicting the electronic Properties of 3D, Milion- Atom Semiconductor Nanostructure Architectures Zunger, Alex NREL 81949 mp70 100,000 500 Computational Semiconductor Physics Zyla, Piotr Berkeley Lab 81972 pdg 8,000 Particle Data Group Zyla, Piotr Berkeley Lab 81981 e871 160,000 HyperCP (FNAL E871)
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