ABOUT A L C F
The Argonne Leadership Computing Facility is one of two DOE Leadership Computing Facility (LCF) centers in the nation dedicated to open science. Supported by the DOE’s Advanced Scientific Computing Research program, the LCF operates two centers, at Argonne National Laboratory and at Oak Ridge National Laboratory, and deploys two diverse high-performance computer architectures that are 10 to 100 times more powerful than systems typically available for open scientific research. The LCF provides world-class computational capabilities to the scientific and engineering community to advance fundamental discovery and understanding in a broad range of disciplines.
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Virtually any process or problem can be advanced with precision and speed using advanced computing at the ALCF. As a national user facility dedicated to open science, any researcher whose project requires access to large-scale computational resources may apply for time on Mira the ALCF’s Blue Gene/Q supercomputer. For more information on INCITE, visit doeleadershipcomputing.org
Argonne Leadership Computing Facility 9700 South Cass Avenue Argonne, IL 60439 www.alcf.anl.gov U.S. DEPARTMENT OF
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Argonne National Laboratory is a U.S. Department of Energy laboratory managed by UChicago Argonne, LLC
ENERGY
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ARGONNE LEADERSHIP C O M P U T I N G FA C I L I T Y
B I OLOGI CA L S CI E N CE S Multiscale Simulations of Human Pathologies George Karniadakis, Brown University 45 Million Core-Hours Scientific Discipline: Biophysics Studies of Large Conformational Changes in Biomolecular Machines BenoĂŽt Roux, University of Chicago 55 Million Core-Hours Scientific Discipline: Biophysics
The Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program provides the scientific and engineering community with access to some of the world’s fastest supercomputers for open science. The INCITE program aims to accelerate scientific discoveries and technical innovations by competitively
CH E M I ST RY
Computational Actinide Chemistry: Reliable Predictions and New Concepts David Dixon, University of Alabama 250 Million Core-Hours ALCF: 100 Million | OLCF: 150 Million
Scientific Discipline: Physical DNS of Forced- and Auto-Ignition in Spherical and Engine-Like Geometries Christos Frouzakis, Swiss Federal Institute of Technology 100 Million Core-Hours Scientific Discipline: Combustion
awarding substantial allocations at U.S. DOE Leadership Computing Facility centers.
First-Principles Simulations of High-Speed Combustion and Detonation Alexei Khokhlov, University of Chicago 150 Million Core-Hours Scientific Discipline: Combustion Solving Petascale Public Health and Safety Problems Using Uintah Martin Berzins, University of Utah 200 Million Core-Hours Scientific Discipline: Combustion Upscaling Laws in Premixed Explosions Thierry Poinsot, CERFACS 86 Million Core-Hours Scientific Discipline: Combustion
Vibrational and Optical Spectroscopy of Electrolyte/Solid Interfaces Giulia Galli, University of Chicago 70 Million Core-Hours Scientific Discipline: Physical
CO MPUTE R S CIE N CE
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Performance Evaluation and Analysis Consortium (PEAC) End Station Leonid Oliker, Lawrence Berkeley National Laboratory 75 Million Core-Hours
Combustion Stability in Complex Engineering Flows Lee Shunn, Cascade Technologies 100 Million Core-Hours Scientific Discipline: Fluids and Turbulence
Dynamic and Adaptive Parallel Programming for Exascale Research Robert Harrison, Brookhaven National Laboratory 20 Million Core-Hours Scientific Discipline: Computer Science
Adaptive Detached Eddy Simulation of a High-Lift Wing with Active Flow Control Kenneth Jansen, University of Colorado 66 Million Core-Hours Scientific Discipline: Aerodynamics
ALCF: 30 Million | OLCF: 45 Million
Scientific Discipline: Computer Science Scalable System Software for Parallel Programming Robert Latham, Argonne National Laboratory 25 Million Core-Hours Scientific Discipline: Computer Science
EA RTH SCIE NCE
CESM Century-Scale Climate Experiments with a High-Resolution Atmosphere Warren Washington, University Corporation for Atmospheric Research 102.8 Million Core-Hours Scientific Discipline: Climate Research Chombo-Crunch: Modeling Pore-Scale Reactive Transport in Carbon Sequestration David Trebotich, Lawrence Berkeley National Laboratory 80 Million Core-Hours Scientific Discipline: Geological Sciences High Frequency Physics-Based Earthquake System Simulations Thomas Jordan, University of Southern California 112.2 Million Core-Hours
Large Eddy Simulations of Combustor Liner Flows Anne Dord, GE Global Research 75 Million Core-Hours Scientific Discipline: Fluids and Turbulence Parameter Studies of Boussinesq Flows Susan Kurien, Los Alamos National Laboratory 50 Million Core-Hours Scientific Discipline: Fluids and Turbulence
M AT E RI A LS S CI E N CE
Computational Design of Novel Multiscale Concrete Rheometers William George, National Institute of Standards and Technology 40 Million Core-Hours Scientific Discipline: Materials Discovery, Design, and Synthesis Correlated Electrons in Photoactive and Superconducting Materials Lucas Wagner, University of Illinois at Champaign-Urbana 60 Million Core-Hours Scientific Discipline: Condensed Matter and Materials
ALCF: 64.2 Million | OLCF: 48 Million
Scientific Discipline: Geological Sciences High-Resolution Simulation for Climate Means, Variability, and Extreme Mark Taylor, Sandia National Laboratories 150 Million Core-Hours
Molecular Engineering through Free Energy Mapping Juan de Pablo, University of Chicago 60 Million Core-Hours Scientific Discipline: Materials Discovery, Design, and Synthesis
ALCF: 50 Million | OLCF: 100 Million
Scientific Discipline: Climate Research
Non-Covalent Bonding in Complex Molecular Systems with Quantum Monte Carlo Dario AlfĂŠ, University College London 126 Million Core-Hours ALCF: 56 Million | OLCF: 70 Million
Scientific Discipline: Condensed Matter and Materials
Petascale Simulations of Self-Healing Nanomaterials Rajiv Kalia, University of Southern California 200 Million Core-Hours Scientific Discipline: Condensed Matter and Materials
Intensity-Dependent Dynamics in Fermilab and CERN Accelerators James Amundson, Fermilab 50 Million Core-Hours Scientific Discipline: Accelerator Physics
Predictive Materials Modeling for Li-Air Battery Systems Larry Curtiss, Argonne National Laboratory 100 Million Core-Hours Scientific Discipline: Condensed Matter and Materials
Kinetic Simulations of Fusion Energy Dynamics at the Extreme Scale William Tang, Princeton University 50 Million Core-Hours Scientific Discipline: Plasma Physics
QMC Simulations Database for Predictive Modeling and Theory Jeongnim Kim, Oak Ridge National Laboratory 200 Million Core-Hours
Lattice QCD Paul Mackenzie, Fermilab 340 Million Core-Hours
ALCF: 100 Million | OLCF: 100 Million
Scientific Discipline: Particle Physics
ALCF: 240 Million | OLCF: 100 Million
Scientific Discipline: Condensed Matter and Materials x 10 1
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SiO2 Fracture: Chemomechanics with a Machine Learning Hybrid QM/MM Scheme James Kermode, King’s College London 125 Million Core-Hours Scientific Discipline: Condensed Matter and Materials Turbulent Rayleigh-Bénard Convection at High Rayleigh and Low Prandtl Numbers Janet Scheel, Occidental College 40 Million Core-Hours Scientific Discipline: Condensed Matter and Materials
PHYSI CS
Cosmological Simulations for Large-Scale Sky Surveys Salman Habib, Argonne National Laboratory 200 Million Core-Hours ALCF: 100 Million | OLCF: 100 Million
Scientific Discipline: High Energy Physics High-Fidelity Simulation of Tokamak Edge Plasma Transport Choong-Seock Chang, Princeton Plasma Physics Laboratory 229 Million Core-Hours ALCF: 100 Million | OLCF: 129 Million
Scientific Discipline: Plasma Physics
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Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale Subramanian Sankaranarayanan, Argonne National Laboratory 40 Million Core-Hours Scientific Discipline: Materials Discovery, Design, and Synthesis
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Scientific Discipline: Nuclear Physics
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Nuclear Structure and Nuclear Reactions James Vary, Iowa State University 204 Million Core-Hours
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Particle Acceleration in Shocks: From Astrophysics to Laboratory In Silico Frederico Fiuza, Lawrence Livermore National Laboratory 120 Million Core-Hours Scientific Discipline: Plasma Physics Petascale Simulations of Inhomogeneous Alfvén Turbulence in the Solar Wind Jean C. Perez, University of New Hampshire 100 Million Core-Hours Scientific Discipline: Space Physics Simulation of Laser-Plasma Interaction in National Ignition Facility Experiments Steven Langer, Lawrence Livermore National Laboratory 200 Million Core-Hours Scientific Discipline: Plasma Physics Thermal Hydraulic Modeling: Cross-Verification, Validation, and Co-Design Paul Fischer, Argonne National Laboratory 60 Million Core-Hours Scientific Discipline: Nuclear Energy Thermodynamics of Quark Flavors from Lattice QCD Rene Bellwied, University of Houston 120 Million Core-Hours Scientific Discipline: Nuclear Physics