Computational Physics at the Petascale and Beyond I
FOCUS · A7 ·
Presentations
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ALCF Data Science Program: Productive Data-centric Supercomputing
ORAL
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Authors
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Nichols Romero
- Argonne National Laboratory
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Venkatram Vishwanath
- Argonne National Laboratory
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BEAM: An HPC Pipeline for Nanoscale Materials Analysis and Neutron Data Modeling
ORAL
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Authors
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Eric Lingerfelt
- Oak Ridge National Laboratory
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Eirik Endeve
- Oak Ridge National Laboratory
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Yawei Hui
- Oak Ridge National Laboratory
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Chris Smith
- Oak Ridge National Laboratory
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Suhas Somnath
- Oak Ridge National Laboratory
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Nathan Grodowitz
- Oak Ridge National Laboratory
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Jose Borreguero
- Oak Ridge National Laboratory
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Feng Bao
- University of Tennessee at Chattanooga
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Jennifer Niedziela
- Oak Ridge National Laboratory
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Dipanshu Bansal
- Oak Ridge National Laboratory
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Olivier Delaire
- Duke University
- Duke University and Oak Ridge National Laboratory
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Richard Archibald
- Oak Ridge National Laboratory
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Alex Belianinov
- Oak Ridge National Laboratory
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Mallikarjun Shankar
- Oak Ridge National Laboratory
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Stephen Jesse
- Oak Ridge National Laboratory
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Extending Strong Scaling of Quantum Monte Carlo to the Exascale
ORAL
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Authors
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Luke Shulenburger
- Sandia Natl Labs
- Sandia National Laboratories
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Andrew Baczewski
- Sandia National Laboratories
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Ye Luo
- Argonne National Laboratory
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Nichols Romero
- Argonne National Laboratory
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Paul Kent
- Oak Ridge National Laboratory
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Here and now: the intersection of computational science, quantum-mechanical simulations, and materials science.
COFFEE_KLATCH · Invited
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Authors
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Nicola Marzari
- Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- THEOS, EPFL
- Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL
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Parameters Free Computational Characterization of Defects in Transition Metal Oxides with Diffusion Quantum Monte Carlo
ORAL
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Authors
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Juan A. Santana
- University of Puerto Rico at Cayey
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Jaron T. Krogel
- Oak Ridge National Laboratory
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Paul R. Kent
- Oak Ridge National Laboratory
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Fernando Reboredo
- Oak Ridge National Laboratory
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High-efficiency wavefunction updates for large scale Quantum Monte Carlo
ORAL
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Authors
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Paul Kent
- Oak Ridge National Laboratory
- Oak Ridge National Laboratory, Oak Ridge, TN
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Tyler McDaniel
- University of Tennessee, Knoxville, TN
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Ying Wai Li
- Oak Ridge National Laboratory
- Oak Ridge National Laboratory, Oak Ridge, TN
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Ed D'Azevedo
- Oak Ridge National Laboratory, Oak Ridge, TN
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OWL: A scalable Monte Carlo simulation suite for finite-temperature study of materials
ORAL
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Authors
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Ying Wai Li
- Oak Ridge National Laboratory
- Oak Ridge National Laboratory, Oak Ridge, TN
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Simuck F. Yuk
- Oak Ridge National Laboratory
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Valentino R. Cooper
- Oak Ridge National Laboratory
- Oak Ridge National Lab
- Oak Ridge National Laboratory, Oak Ridge
- ORNL
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Markus Eisenbach
- Oak Ridge National Lab
- Oak Ridge National Laboratory
- Center for computational sciences, Oak Ridge National Laboratory
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Khorgolkhuu Odbadrakh
- Oak Ridge National Laboratory
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Real-time electron dynamics for massively parallel excited-state simulations
ORAL
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Authors
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Xavier Andrade
- Lawrence Livermore National Laboratory, Livermore, CA
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Massively Parallel Real-Time TDDFT Simulations of Electronic Stopping Processes
ORAL
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Authors
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Dillon Yost
- University of North Carolina - Chapel Hill
- University of North Carolina at Chapel Hill
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Cheng-Wei Lee
- University of Illinois at Urbana-Champaign
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Erik Draeger
- Lawrence Livermore National Laboratory
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Alfredo Correa
- Lawrence Livermore National Laboratory
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Andre Schleife
- University of Illinois at Urbana-Champaign
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Yosuke Kanai
- University of North Carolina at Chapel Hill
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Toward Petascale Biologically Plausible Neural Networks
ORAL
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Authors
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Lyle Long
- Pennsylvania State Univ
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Machine learning properties of materials and molecules with entropy-regularized kernels
ORAL
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Authors
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Michele Ceriotti
- Ecole Polytechnique F\'ed\'erale de Lausanne, Lausanne, Switzerland
- EPFL - Lausanne
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Albert Bartók
- University of Cambridge
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Gábor Csányi
- University of Cambridge
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Sandip De
- Ecole Polytechnique F\'ed\'erale de Lausanne, Lausanne, Switzerland
- EPFL - Lausanne
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Improving the network efficiency of the two particle parquet algorithm
ORAL
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Authors
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Samuel Kellar
- Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA
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Bibek Wagle
- Department of Computer Science, Louisiana State University, Baton Rouge, LA
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Ka-Ming Tam
- Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA
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Hartmut Kaiser
- Center of Computation and Technology, Louisiana State University, Baton Rouge, LA
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Juana Moreno
- Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA
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Mark Jarrell
- Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA
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Computational studies of the 2D self-assembly of bacterial microcompartment shell proteins
ORAL
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Authors
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Jyoti Mahalik
- Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
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Kirsten Brown
- Chemistry Department, Mercer University
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Xiaolin Cheng
- UT/ORNL Center for Molecular Biophysics
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Miguel Fuentes-Cabrera
- Oak Ridge National Lab
- Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
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