Science at ALCF

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a Category 5 hurricane simulated by the CESM at 13 km resolution Accelerated Climate Modeling for Energy
Mark Taylor, Sandia National Laboratory
INCITE 2015
140 Million Core-Hours at the ALCF
Earth Science
Accelerator Modeling for Discovery
James Amundson, Fermilab
INCITE 2015
60 Million Core-Hours at the ALCF
Physics
Adaptive Detached Eddy Simulation of a High Lift Wing with Active Flow Control
Kenneth Jansen, University of Colorado Boulder
INCITE 2015
70 Million Core-Hours at the ALCF
Engineering
Metal nanoparticles supported on the surface of metal-oxides Catalyst Support Interactions
Frank Abild-Pedersen, Stanford University
INCITE 2015
50 Million Core-Hours at the ALCF
Chemistry
present day simulation with a 1/4 degree horizontal resolution atmosphere version of the Community Earth System Model (CESM) CESM Century-Scale Climate Experiments with a High-Resolution Atmosphere
Warren Washington, UCAR
INCITE 2015
200 Million Core-Hours at the ALCF
Earth Science
electronic properties of aqueous solutions of NaCl with density functional theory and hybrid functionals Computational Spectroscopy of Heterogeneous Interfaces
Giulia Galli, University of Chicago
INCITE 2015
180 Million Core-Hours at the ALCF
Materials Science
Numerical model of cosmic reionization Cosmic Reionization On Computers
Nickolay Gnedin, Fermilab
INCITE 2015
74 Million Core-Hours at the ALCF
Physics
1.1 trillion particles using HACC Cosmological Simulations for Large-Scale Sky Surveys
Salman Habib, Argonne National Laboratory
INCITE 2015
80 Million Core-Hours at the ALCF
Physics
cavitating vapor bubbles above a solid wall Direct Numerical Simulations and Robust Predictions of Cloud Cavitation Collapse
Petros Koumoutsakos, ETH Zürich
INCITE 2015
88 Million Core-Hours at the ALCF
Engineering
Autoignition of a turbulent hydrogen jet injected into hot oxygen DNS/LES of Complex Turbulent Flows
Krishnan Mahesh, University of Minnesota
INCITE 2015
100 Million Core-Hours at the ALCF
Engineering
A neutron wave-function for a benchmark calculation Dynamic and Adaptive Parallel Programming for Exascale Research
Robert Harrison, Brookhaven National Laboratory
INCITE 2015
15 Million Core-Hours at the ALCF
Computer Science
Three-dimensional reactive Navier-Stokes direct numerical simulation of a flame acceleration First-Principles Simulations of High-Speed Combustion and Detonation
Alexei Khokhlov, The University of Chicago
INCITE 2015
150 Million Core-Hours at the ALCF
Chemistry
image is a schematic of Earth interior and some magnetic field lines from a model Frontiers in Planetary and Stellar Magnetism through High-Performance Computing
Jonathan Aurnou, University of California, Los Angeles
INCITE 2015
83 Million Core-Hours at the ALCF
Earth Science
Ground motion simulations reveal regions at risk High Frequency Ground Motion Simulation for Seismic Hazard Analysis
Thomas Jordan, Southern California Earthquake Center
INCITE 2015
48 Million Core-Hours at the ALCF
Earth Science
Plasma density fluctuation from large amplitude nonlinear turbulence in the tokamak edge region High-fidelity Simulation of Tokamak Edge Plasma Transport
Choong-Seock Chang, Princeton Plasma Physics Laboratory
INCITE 2015
100 Million Core-Hours at the ALCF
Physics
Large Eddy Simulations of a GE CFM combustor, temperature distribution and liquid fuel droplets Large Eddy Simulations of Combustor Liner Flows
Anne Dord, GE Global Research
INCITE 2015
89 Million Core-Hours at the ALCF
Engineering
Large-Eddy Simulation of the Bachalo-Johnson Flow, with Shock-Induced Separation
Philippe Spalart, Boeing
INCITE 2015
135 Million Core-Hours at the ALCF
Engineering
form factor for the decay of a kaon into a pion and two leptons Lattice QCD
Paul Mackenzie, Fermilab
INCITE 2015
180 Million Core-Hours at the ALCF
Physics
Multiscale Simulations of Human Pathologies
George Karniadakis, Brown University
INCITE 2015
45 Million Core-Hours at the ALCF
Biological Sciences
A snapshot of a liquid water simulation performed with DFT Non-covalent Bonding in Complex Molecular Systems with Quantum Monte Carlo
Dario Alfè, University College London
INCITE 2015
68 Million Core-Hours at the ALCF
Materials Science
Nuclear Structure and Nuclear Reactions
James Vary, Iowa State University
INCITE 2015
100 Million Core-Hours at the ALCF
Physics
Parameter Studies of Boussinesq Flows
Susan Kurien, Los Alamos National Laboratory
INCITE 2015
44 Million Core-Hours at the ALCF
Engineering
Magnetic field generation in a collisionless shock Particle Acceleration in Shocks: From Astrophysics to Laboratory In Silico
Frederico Fiuza, Lawrence Livermore National Laboratory
INCITE 2015
110 Million Core-Hours at the ALCF
Physics
Allgather implementations on 32K BG/P cores, highlighting the "bucket" algorithm from UIUC. Performance Evaluation and Analysis Consortium End Station
Leonid Oliker, Lawrence Berkeley National Laboratory
INCITE 2015
45 Million Core-Hours at the ALCF
Computer Science
3D MHD simulations of a rapidly-rotating, highly-magnetized star Petascale Simulation of Magnetorotational Core-Collapse Supernovae
Sean Couch, California Institute of Technology
INCITE 2015
50 Million Core-Hours at the ALCF
Physics
Petascale Simulations of Laser Plasma Interaction Relevant to IFE
Frank Tsung, University of California, Los Angeles
INCITE 2015
90 Million Core-Hours at the ALCF
Physics
simulation of the oxidation of a fractured alumina matrix embedded with silicon carbide nanoparticles Petascale Simulations of Self-Healing Nanomaterials
Rajiv Kalia, University of Southern California
INCITE 2015
180 Million Core-Hours at the ALCF
Materials Science
Predictive Materials Modeling for Li-Air Battery Systems
Larry Curtiss, Argonne National Laboratory
INCITE 2015
50 Million Core-Hours at the ALCF
Materials Science
CO monoxide adsorbs on the Pt (111) surface QMC Simulations DataBase for Predictive Theory and Modeling
David Ceperley, University of Illinois at Urbana–Champaign
INCITE 2015
100 Million Core-Hours at the ALCF
Materials Science
Quark Flavors and Conserved Charges at Finite Density in the QCD Phase Diagram
Rene Bellwied, University of Houston
INCITE 2015
150 Million Core-Hours at the ALCF
Physics
molecular dynamics demonstrating the sintering mechanism under the influence of e-field Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale
Subramanian Sankaranarayanan, Argonne National Laboratory
INCITE 2015
40 Million Core-Hours at the ALCF
Materials Science
Streamlines from an early time step of the Rayleigh-Taylor instability Scalable System Software for Parallel Programming
Robert Latham, Argonne National Laboratory
INCITE 2015
25 Million Core-Hours at the ALCF
Computer Science
Simulation of Correlated Electrons for Superconducting Materials
Lucas Wagner, University of Illinois
INCITE 2015
106 Million Core-Hours at the ALCF
Materials Science
SiO2 Fracture: Chemomechanics with a Machine Learning Hybrid QM/MM Scheme SiO2 Fracture: Chemomechanics with a Machine Learning Hybrid QM/MM Scheme
James Kermode, King's College London
INCITE 2015
125 Million Core-Hours at the ALCF
Materials Science
State-of-the Art Simulations of Liquid Phenomena
Mark Gordon, Iowa State University
INCITE 2015
200 Million Core-Hours at the ALCF
Materials Science
Molecular details of the occlusion process in the ATP-driven calcium pump SERCA Studies of Large Conformational Changes in Biomolecular Machines
BenoȊt Roux, University of Chicago
INCITE 2015
120 Million Core-Hours at the ALCF
Biological Sciences
Hemagglutinin (orange) is an influenza surface protein responsible for viral invasion and infection of cells Towards Breakthroughs in Protein Structure Calculation and Design
David Baker, University of Washington
INCITE 2015
80 Million Core-Hours at the ALCF
Chemistry