Science at ALCF

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61-­Pin Wire-­Wrap Turbulent Conjugate-­Heat Transfer: V&V for Industry and SESAME
Elia Merzari, Argonne National Laboratory
ALCC 2016
120 Million Core-Hours at the ALCF
Physics
Ab Initio Modeling of the Dynamical Stability of HED Plasmas: From Fusion to Astrophysics
Frederico Fiuza, SLAC National Accelerator Laboratory
ALCC 2016
60 Million Core-Hours at the ALCF
Physics
Adjoint Based Optimization via Large Eddy Simulation of a Fundamental Turbine Stator-­Rotor
Qiqi Wang, Massachusetts Institute of Technology
ALCC 2016
15 Million Core-Hours at the ALCF
Engineering
An End-­Station for Intensity and Energy Frontier Experiments and Calculations
Taylor Childers, Argonne National Laboratory
ALCC 2016
93.5 Million Core-Hours at the ALCF
Physics
Computational Engineering of Defects in Soft and Hard Materials for Energy and Quantum Information Applications
Marco Govoni , University of Chicago and Argonne National Laboratory
ALCC 2016
53.7 Million Core-Hours at the ALCF
Materials Science
Computational Study of Cycle-­to-­Cycle Variation in Dual-­Fuel Engines
Ravichandra Jupudi, General Electric Global Research
ALCC 2016
25 Million Core-Hours at the ALCF
Engineering
Delivering the Department of Energy's Next-­Generation High-Resolution Earth System Model
Peter Thornton, Oak Ridge National Laboratory
ALCC 2016
158 Million Core-Hours at the ALCF
Earth Science
Demonstration of the Scalability of Programming Environments By Simulating Multi-­Scale Applications
Robert Voigt , Leidos
ALCC 2016
151 Million Core-Hours at the ALCF
Computer Science
Exploring Higgs Compositeness Mechanism in the Era of the 14 TeV LHC
George Fleming, Yale University
ALCC 2016
55 Million Core-Hours at the ALCF
Physics
Extreme-Scale Gyrokinetic Particle Simulations to Complete the 2016 OFES National Theory/Simulation Performance Target and to Study the Fundamental Edge Physics
Choong-­Seock Chang, Princeton Plasma Physics Laboratory
ALCC 2016
100 Million Core-Hours at the ALCF
Physics
First Principles Design and Analysis of Energy-­Efficient NanoElectronic Switches
Sefa Dag, Globalfoundries
ALCC 2016
10 Million Core-Hours at the ALCF
Materials Science
First Principles Design of Magnetic Materials, Models, and Mechanisms
Lucas Wagner, University of Illinois at Urbana-­Champaign
ALCC 2016
30 Million Core-Hours at the ALCF
Materials Science
Hadronic Light-­by-­Light Scattering Contribution to the Muon Anomalous Magnetic Moment from Lattice QCD with Chiral Fermions
Thomas Blum, University of Connecticut
ALCC 2016
180 Million Core-Hours at the ALCF
Physics
High-­Intensity Multibunch Physics in the Fermilab Accelerator Complex
James Amundson, Fermilab
ALCC 2016
50 Million Core-Hours at the ALCF
Physics
Modeling Helium-­Hydrogen Plasma Mediated Tungsten Surface Response to Predict Fusion Plasma Facing Component Performance in ITER
Brian Wirth, University of Tennessee
ALCC 2016
70 Million Core-Hours at the ALCF
Materials Science
Modeling of Intense X-­ray Laser Dynamics in Nanoclusters
Phay Ho, Argonne National Laboratory
ALCC 2016
10 Million Core-Hours at the ALCF
Materials Science
Molecular Dynamics Studies of Biomass Degradation in Biofuel Production
Klaus Schulten, University of Illinois at Urbana-­Champaign
ALCC 2016
50 Million Core-Hours at the ALCF
Biological Sciences
Molecular Modeling of Hot Electron Transfer for Solar Energy Conversion
Hanning Chen, George Washington University
ALCC 2016
16 Million Core-Hours at the ALCF
Chemistry
Multiphase Simulations of Nuclear Reactor Flows
Igor Bolotnov, North Carolina State University
ALCC 2016
72.1 Million Core-Hours at the ALCF
Engineering
Muon g − 2 Hadronic Vacuum Polarization from Lattice QCD
John Laiho, Syracuse University
ALCC 2016
66 Million Core-Hours at the ALCF
Physics
Nuclear Structure for Tests of Fundamental Symmetries and Astroparticle Physics
Calvin Johnson, San Diego State University
ALCC 2016
6 Million Core-Hours at the ALCF
Physics
Numerical Simulation of Turbulent Flows in Advanced Steam Generators
Aleksandr Obabko, Argonne National Laboratory
ALCC 2016
80 Million Core-Hours at the ALCF
Physics
Predictive Modeling of Functional Nanoporous Materials, Nanoparticle Assembly, and Reactive Systems
J. Ilja Siepmann, University of Minnesota
ALCC 2016
117 Million Core-Hours at the ALCF
Materials Science
Simulations of Laser Experiments to Study the Origin of Cosmic Magnetic Fields
Petros Tzeferacos, University of Chicago
ALCC 2016
60 Million Core-Hours at the ALCF
Physics
The Materials Project -­ Completing the Space of Elastic and Piezoelectric Tensors
Kristin Persson, Lawrence Berkeley National Laboratory
ALCC 2016
36 Million Core-Hours at the ALCF
Materials Science
Unraveling Silent Owl Flight to Develop Ultra-­Quiet Energy Conversion Machines
Anupam Sharma, Iowa State University
ALCC 2016
25 Million Core-Hours at the ALCF
Engineering
Advancing Internal Combustion Engine Simulations using Sensitivity Analysis
Sibendu Som, Argonne National Laboratory
ALCC 2015
60 Million Core-Hours at the ALCF
Engineering
ALCC: Cosmic Frontier Computational End-Station
Salman Habib, Argonne National Laboratory
ALCC 2015
65 Million Core-Hours at the ALCF
Physics
An End-Station for Intensity and Energy Frontier Experiments and Calculations
Thomas LeCompte, Argonne National Laboratory
ALCC 2015
62 Million Core-Hours at the ALCF
Physics
Anomalous Density Properties and Ion Solvation in Liquid Water: A Path-Integral Ab Initio Study
Robert A. DiStasio, Princeton University
ALCC 2015
175 Million Core-Hours at the ALCF
Chemistry
Computational Design of Interfaces for Photovoltaics
Noa Marom, Tulane University
ALCC 2015
100 Million Core-Hours at the ALCF
Chemistry
Computational Design of Novel Multiscale Concrete Rheometers
William George, National Institute of Standards and Technology
ALCC 2015
50 Million Core-Hours at the ALCF
Engineering
Credible Predictive Simulation Capabilities for Advanced Clean Energy Technology Development through Uncertainty Quantification
Aytekin Gel, ALPEMI
ALCC 2015
111.5 Million Core-Hours at the ALCF
Engineering
Delivering the Department of Energy’s next-generation high resolution Earth system model
Peter Thornton, Oak Ridge National Laboratory
ALCC 2015
110 Million Core-Hours at the ALCF
Earth Science
Demonstration of the Scalability of Programming Environments By Simulating Multi-Scale Applications
Robert Voigt, Leidos Inc
ALCC 2015
127 Million Core-Hours at the ALCF
Computer Science
First Principles Large Scale Simulations of Interfaces for Energy Conversion and Storage
Marco Govoni, University of Chicago
ALCC 2015
75 Million Core-Hours at the ALCF
Materials Science
Hadronic Light-By-Light Scattering Contribution to the Muon Anomalous Magnetic Moment from Lattice QCD with Chiral Fermions
Thomas Blum, University of Connecticut
ALCC 2015
175 Million Core-Hours at the ALCF
Physics
High-Fidelity Computations of Fuel Assemblies Subjected to Seismic Loads
Elias Balaras, George Washington University
ALCC 2015
34 Million Core-Hours at the ALCF
Engineering
High-Fidelity Computations of Fuel Assemblies Subjected to Seismic Loads
Elias Balaras, George Washington University
ALCC 2015
34 Million Core-Hours at the ALCF
Large Scale Ab-Initio Simulation of Crystalline Defects in Mg-alloys
Kaushik Bhattacharya, Caltech
ALCC 2015
20 Million Core-Hours at the ALCF
Materials Science
Large-Eddy Simulation of Turbine Internal Cooling Passages
Gustavo Ledezma, General Electric
ALCC 2015
6 Million Core-Hours at the ALCF
Engineering
Performance Analysis, Modeling and Scaling of HPC Applications and Tools
Abhinav Bhatele, Lawrence Livermore National Laboratory
ALCC 2015
20.1 Million Core-Hours at the ALCF
Computer Science
Portable Application Development for Next Generation Supercomputer Architectures
Tjerk Straatsma, Oak Ridge National Laboratory
ALCC 2015
60 Million Core-Hours at the ALCF
Computer Science
Predictive Modeling of Functional Nanoporous Materials
J. Ilja Siepmann, University of Minnesota
ALCC 2015
120 Million Core-Hours at the ALCF
Materials Science
PT -symmetric Quantum Mechanics for Real-time Electron Transport Simulations
Hanning Chen, George Washington University
ALCC 2015
16 Million Core-Hours at the ALCF
Chemistry
Revealing the Reversible Electrodeposition Mechanism in Multivalent-ion Batteries
Gerbrand Ceder, Massachusetts Institute of Technology,
ALCC 2015
70 Million Core-Hours at the ALCF
Materials Science
Toward a Longer-Life Core: Thermal-Hydraulic CFD Simulations of Deformed Fuel Assemblies
Elia Merzari, Argonne National Laboratory
ALCC 2015
72 Million Core-Hours at the ALCF
Engineering
Understanding Helium-Hydrogen Plasma Mediated Tungsten Surface Response to Predict Fusion Plasma Facing Component Performance in ITER
Brian Wirth, University of Tenneesee
ALCC 2015
80 Million Core-Hours at the ALCF
Materials Science
Validation of RAP/HRRR for the Wind Forecast Improvement Project II
Joe Olson, NOAA
ALCC 2015
15 Million Core-Hours at the ALCF
Earth Science
Validation Simulations of Macroscopic Burning-Plasma Dynamics
Jacob King, Tech-X
ALCC 2015
40 Million Core-Hours at the ALCF
Physics
Amplitude Modulation of Wind Turbine Noise
Sanjiva Lele, Stanford University
ALCC 2014
36.5 Million Core-Hours at the ALCF
Engineering
An early design of an artificial peptide Applying Breakthroughs in Protein Structure Calculation to the Creation of Designer Enzymes
David Baker, University of Washington
ALCC 2014
200 Million Core-Hours at the ALCF
Biological Sciences
Composite Higgs Theory Beyond the Standard Model and the 14 TeV Upgrade of the Large Hadron Collider
Julius Kuti, University of California, San Diego
ALCC 2014
88.7 Million Core-Hours at the ALCF
Physics
Cosmic Frontier Computational End‐Station
Salman Habib, Argonne National Laboratory
ALCC 2014
100 Million Core-Hours at the ALCF
Physics
Delivering the Department of Energy's Next‐Generation High‐Resolution Earth System Model
Peter Thornton, Oak Ridge National Laboratory
ALCC 2014
107 Million Core-Hours at the ALCF
Earth Science
Hobbes: Operating System and Runtime Research for Extreme Scale
Ron Brightwell, Sandia National Laboratories
ALCC 2014
5 Million Core-Hours at the ALCF
Computer Science
Example of a water pathway that forms in polyelectrolyte membranes connecting two hydrophilic (water) regions Influence of Morphology on Proton Transport in Proton Exchange Membrane
Gregory Voth, University of Chicago / Argonne National Laboratory
ALCC 2014
57.6 Million Core-Hours at the ALCF
Chemistry
Interfaces in Organic and Hybrid Photovoltaics
Noa Marom, Tulane University
ALCC 2014
75 Million Core-Hours at the ALCF
Materials Science
A systematization of a lithium atom (yellow) immersed into an aqueous environment Ion Solvation, Catalytic Interfaces, and Extreme Aqueous Environments: An Ab Initio Study of Liquid Water
Robert A. DiStasio Jr., Princeton University
ALCC 2014
350 Million Core-Hours at the ALCF
Physics
Large scale quantum simulations of electrode-electrolyte interfaces
Giulia Galli, University of Chicago
ALCC 2014
35 Million Core-Hours at the ALCF
Materials Science
Large-Scale Turbulent Clean Coal Combustion
Martin Berzins, University of Utah
ALCC 2014
10 Million Core-Hours at the ALCF
Chemistry
8 million atom molecular dynamics simulation Nanostructure‐enhanced Chemical Reactivity and Detonation in Energetic Materials
Aidan Thompson, Sandia National Laboratories
ALCC 2014
80 Million Core-Hours at the ALCF
Materials Science
Petascale Simulations in Support of CESAR
Elia Merzari, Argonne National Laboratory
ALCC 2014
80 Million Core-Hours at the ALCF
Engineering
Prediction and Design of Energy Materials by Petascale Evolutionary Algorithm Simulations
Giancarlo Trimarchi, Northwestern University
ALCC 2014
30 Million Core-Hours at the ALCF
Materials Science
swirling injector Predictive Large‐Eddy Simulation of Jet Fuel Atomization, High‐Lift Airframes, and Reacting Supersonic Turbulent Flows on Unstructured Grids
Parviz Moin, Stanford University
ALCC 2014
120 Million Core-Hours at the ALCF
Engineering
Revealing the Reversible Electrodeposition Mechanism in Multivalent-ion Batteries
Gerbrand Ceder, Massachusetts Institute of Technology
ALCC 2014
98 Million Core-Hours at the ALCF
Materials Science
Simulation of Large Hadron Collider Events Using Leadership Computing
Thomas LeCompte, Argonne National Laboratory
ALCC 2014
50 Million Core-Hours at the ALCF
Physics
Turbulent Multiphase Flows for Nuclear Reactor Safety
Igor A. Bolotnov, North Carolina State University
ALCC 2014
76.8 Million Core-Hours at the ALCF
Engineering
Understanding Helium Plasma Mediated Tungsten Surface Response to Better Predict Fusion Plasma Facing Component Performance in ITER
Brian Wirth, University of Tennessee
ALCC 2014
66 Million Core-Hours at the ALCF
Physics
Understanding Secondary Motions and Their Impact in Modeling Turbulent Flows
Hassan Nagib, Illinois Institute of Technology
ALCC 2014
11 Million Core-Hours at the ALCF
Engineering
Validation Studies of Gyrokinetic Simulations to Understand the Coupling of Ion and Electron Scale Turbulence in Tokamak Plasmas
Christopher Holland, University of California, San Diego
ALCC 2014
90 Million Core-Hours at the ALCF
Physics
A systematization of a lithium atom (yellow) immersed into an aqueous environment. Ab Initio Quantum Liquid Water and Aqueous Ionic Solutions
Robert A. DiStasio Jr. , Princeton University
ALCC 2013
250 Million Core-Hours at the ALCF
Physics
Atomistic simulations of Nanoscale Oxides and Oxide Interfaces
Subramanian Sankaranarayanan, Argonne National Laboratory
ALCC 2013
120 Million Core-Hours at the ALCF
Materials Science
Transient pH on calcite grains in capillary tube experiment. 1 billion grid points computed on 48K cores. 1 micron resolution. Chombo-Crunch: Advanced Simulation of Subsurface Flow and Reactive Transport Processes Associated with Carbon Sequestration
David Trebotich, Lawrence Berkeley National Laboratory
ALCC 2013
80 Million Core-Hours at the ALCF
Earth Science
Does A Turbulent Duct Flow Ever Become Two-Dimensional
Hassan Nagib, Illinois Institute of Technology, KTH Mechanics, Sweden
ALCC 2013
11 Million Core-Hours at the ALCF
Engineering
Conformational dynamics across lower critical solution temperature in a polymer brush structure grafted on metal nanoparticle. Dynamics of Conformational Transition in Polymer Grafted Nanoparticles
Subramanian Sankaranarayanan, Argonne National Laboratory
ALCC 2013
170 Million Core-Hours at the ALCF
Materials Science
First Principles Investigations of Adsorbate-Metal Interactions: Quantum Monte Carlo and Ab Initio Molecular Dynamics Simulations
Jeffrey Greeley, Purdue University
ALCC 2013
50 Million Core-Hours at the ALCF
Materials Science
First-Principle Investigation of Oxygen Defects in Metal/Oxide/Metal Heterostructures: Structure, Energetics, and Transport in the Quantum Regime
Olle Heinonen, Argonne National Laboratory
ALCC 2013
50 Million Core-Hours at the ALCF
Materials Science
Large Eddy Simulation of SFR Assembly Inlets
Paul Fischer, Argonne National Laboratory, General Electric , James Tallman, Argonne National Laboratory, General Electric
ALCC 2013
60 Million Core-Hours at the ALCF
Physics
Large-Scale Computation for Discovery and Design of Excited State Phenomena in Next-Generation Energy Conversion Materials
Jeffrey B. Neaton, Lawrence Berkeley National Laboratory
ALCC 2013
23 Million Core-Hours at the ALCF
Materials Science
MockBOSS: Calibrating Boss Dark Energy Science with HACC
Katrin Heitmann, Argonne National Laboratory
ALCC 2013
47 Million Core-Hours at the ALCF
Physics
Multiscale Modeling of Dynamic Arctic Landscapes in a Changing Climate
Richard Mills, Oak Ridge National Laboratory
ALCC 2013
30 Million Core-Hours at the ALCF
Earth Science
Petascale Simulation of Laser Plasma Interactions Relevant to Inertial Fusion Energy
F.S Tsung, University of California, Los Angeles
ALCC 2013
40 Million Core-Hours at the ALCF
Physics
Large eddy simulation of the flow in a rod bundle at high Reynolds numbers. Rod bundles are a fundamental component of reactor cores. Petascale Thermal Hydraulic Simulations in Support of CESAR
Elia Merzari, Argonne National Laboratory
ALCC 2013
80 Million Core-Hours at the ALCF
Engineering
Interaction of a fast-ignition-scale laser with a dense DT plasma. Predictive Full-Scale Simulations of Fast Ignition of Fusion Targets
Frederico Fiuza, Lawrence Livermore National Laboratory
ALCC 2013
19.5 Million Core-Hours at the ALCF
Physics
NDM-1 enzyme’s structure revealed a large cavity (dark gray) capable of binding a variety of known antibiotics (shown in different colors) Protein Binding and Interaction Analysis of Human Pathogen Protein Targets
T. Andrew Binkowski, Argonne National Laboratory
ALCC 2013
22.8 Million Core-Hours at the ALCF
Biological Sciences
Axial velocity in Nek5000 LES simulation of 2012 OECD/NEA Matis benchmark experiment which is one of the experiments chosen for cross-verification and validation in 2013 ALCC project. U.S. Russia Collaboration on Cross-Verification and Validation in Thermal Hydraulics: Nek5000, Cfoam-CABARET, and Conv3D, Simulations of MATiS and MAX Experiments
Aleksandr Obabko, Argonne National Laboratory
ALCC 2013
44 Million Core-Hours at the ALCF
Engineering
Understanding Helium Plasma Mediated Tungsten Surface Response that Controls Plasma Facing Component Performance and Lifetime
Brian Wirth, Oak Ridge National Laboratory
ALCC 2013
7.5 Million Core-Hours at the ALCF
Physics
The rectangular nozzle is shown in gray with an isosurface of temperature (gold) cut along the center plane of the nozzle showing temperature contours (red/yellow). Wall Modeling and Primary Atomization for Predictive Large-Eddy Simulation of Airframes, Jet Engines and Jet Noise
Parviz Moin, Stanford University
ALCC 2013
150 Million Core-Hours at the ALCF
Engineering
A compilation of the nuclear energy levels determined in lattice QCD in a world where up down and strange quarks have all the same mass equal to the physical strange quark mass. Ab Initio Hyper-Nuclear Physics
Kostas Orginos,
ALCC 2012
20 Million Core-Hours at the ALCF
Atomistic simulations elucidating the coil-to-globule conformational changes in thermosensitive polymers. Dynamics of Conformational Transition in Thermo-Sensitive Polymers and Hydrogels
Subramanian Sankaranarayanan, Argonne National Laboratory
ALCC 2012
50 Million Core-Hours at the ALCF
Materials Science
Simulated dark matter distribution for different cosmological models (colors: velocities) demonstrating the power of large-scale structure measurements to probe new physics. Exploring the Nature of the Lightest Massive Particles in the Universe
Katrin Heitmann, Argonne National Laboratory, High Energy Physics and Mathematics and Computer Science Divisions
ALCC 2012
4 Million Core-Hours at the ALCF
Physics
The projected boot time of a full system, as a function of total size, up to 2M nodes. Each curve represents a given base zone size. The arrows indicate the optimal setup in terms of management-zone and base-zone sizes. HPC Colony: Adaptive System Software for Improved Resiliency and Performance
Terry Jones, Oak Ridge National Laboratory
ALCC 2012
3 Million Core-Hours at the ALCF
Computer Science
Density Functional Theory calculations are used to understand the structure and dynamics of chemical processes at water/metal interfaces. Liquid-Solid Interfaces in Electrocatalysis from First Principles
Jeffrey Greeley, Argonne National Laboratory
ALCC 2012
20 Million Core-Hours at the ALCF
Materials Science
Axial velocity distribution for 37-pin rod bundle. Petascale Thermal-Hydraulic Simulations in support of CESAR
Elia Merzari, Argonne National Laboratory
ALCC 2012
30 Million Core-Hours at the ALCF
Engineering
Supersonic jet exhaust from a 2:1 rectangular nozzle trimmed with 8 mechanical chevrons along the nozzle lip. Temperature contours shown. Prediction of Multiscale, Multiphysics Turbulent Flow Phenomena Using Unstructured Large Eddy Simulation
Parviz Moin, Center for Turbulence Research Stanford University
ALCC 2012
60 Million Core-Hours at the ALCF
Engineering
Velocity magnitude from preliminary Nek5000 simulations of "SIBERIA" experiment. U.S.-Russia Collaboration on Verification and Validation in Thermal Hydraulics: Nek5000 and Conv3D Simulation of “SIBERIA” Experiment
Aleksandr Obabko, Argonne National Laboratory
ALCC 2012
30 Million Core-Hours at the ALCF
Engineering
Advanced Test Reactor Geometry and UNIC Flux Solution; fast flux. Validation Work for Heterogeneous Nuclear Reactor Calculations
Micheal Smith, Argonne National Laboratory
ALCC 2012
30 million Core-Hours at the ALCF
Energy Technologies
   Scalable, Explicit Geometry, Whole-Core Nuclear Reactor Simulations Scalable, Explicit Geometry, Whole-Core Nuclear Reactor Simulations
Micheal Smith, Argonne National Laboratory
ALCC 2011
38 Million Core-Hours at the ALCF
Energy Technologies
Dynamic aperture for 50 error ensembles overlaid on frequency map Direct Multiobjective Optimization of Storage Ring Lattices for the APS Upgrade and Beyond
Michael Borland, Argonne National Laboratory
ALCC 2011
36 Million Core-Hours at the ALCF
Physics
Electrocatalyst Durability from First Principles Calculations Electrocatalyst Durability from First Principles Calculations
Jeffrey Greeley,
ALCC 2011
20 Million Core-Hours at the ALCF
Chemistry
First Principles Calculations of Interfaces in Electrical Energy Storage Systems
Larry Curtiss, Argonne National Laboratory
ALCC 2011
30 Million Core-Hours at the ALCF
Energy Technologies
Prediction of Supersonic Jet Noise Using Large Eddy Simulation
Parviz Moin, Stanford University
ALCC 2011
60 Core-Hours at the ALCF
Engineering
Sensitivity and uncertainty of precipitation of a climate model
Laura Zamboni, Argonne National Laboratory
ALCC 2011
40 Million Core-Hours at the ALCF
Earth Science
Simulating Regional Climate at Convection Permitting Resolution
Greg Holland, National Center for Atmospheric Research
ALCC 2011
13 Million Core-Hours at the ALCF
Earth Science
The Interactions Between Vaporizing Liquid Droplets and a Turbulent Flow: Fully Resolved Direct Numerical Simulation
Said Elghobashi, University of California, Irvine
ALCC 2011
10 Million Core-Hours at the ALCF
Engineering
crystal structures Toward Crystal Engineering from First Principles
James R. Chelikowsky, University of Texas at Austin
ALCC 2011
12 Million Core-Hours at the ALCF
Materials Science
A Center for Turbulence Research - Argonne Leadership Computing Facility Collaboratory for Very Large Scale Turbulence Simulations on Petascale Computing Platforms
Parviz Moin, Stanford University
ALCC 2010
50 Million Core-Hours at the ALCF
Engineering
Aerodynamics Exploration for Advanced Aero-Propulsion Technologies
Jixian Yao, GE Research
ALCC 2010
Engineering
Direct Multi-objective Optimization of Storage Ring Lattices for the APS Upgrade and Beyond
Michael Borland, Argonne National Laboratory
ALCC 2010
35 Million Core-Hours at the ALCF
Physics
217-pin Improving Light Water Reactor Fuel Reliability Via Flow Induced Vibration Simulations
Andrew Siegel, Argonne National Laboratory
ALCC 2010
75 Million Core-Hours at the ALCF
Energy Technologies
Materials Design from First Principles Calculations
Larry Curtiss, Argonne National Laboratory
ALCC 2010
20 Million Core-Hours at the ALCF
Materials Science
Nucleon Structure down to the Physical Pion Mass Nucleon Structure down to the Physical Pion Mass
John Negele, MIT
ALCC 2010
37.8 Million Core-Hours at the ALCF
Physics
Scalable, Explicit Geometry, Whole Core Nuclear Reactor Simulations Scalable, Explicit Geometry, Whole Core Nuclear Reactor Simulations
Michael Smith , Argonne National Laboratory
ALCC 2010
38 Million Core-Hours at the ALCF
Energy Technologies
MD simulations in explicit water-membrane environment Simulation of Large Conformational Transitions in Macromolecular Systems using Leadership Computing
Benoit Roux , University of Chicago
ALCC 2010
28.5 Million Core-Hours at the ALCF
Chemistry