Petascale Science and Beyond: Applications and Opportunities for Materials, Chemical, and Bio Physics I
FOCUS · A34 ·
Presentations
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Accurate, scalable computations in many-electron systems
Invited
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Presenters
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Shiwei Zhang
- College of William & Mary
- Department of Physics, William & Mary
- Physics, William & Mary Coll
Authors
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Shiwei Zhang
- College of William & Mary
- Department of Physics, William & Mary
- Physics, William & Mary Coll
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Stacking Interactions of B-DNA and Their Nonadditivities: A QMC Study
ORAL
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Presenters
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Ken Qin
- Japan Adv Inst of Sci and Tech
Authors
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Ken Qin
- Japan Adv Inst of Sci and Tech
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Ryo Maezono
- Japan Adv Inst of Sci and Tech
- Japan Advanced Institute of Science and Technology, School of Information Science
- Energy and Environment, Japan Adv Inst of Sci and Tech
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Kenta Hongo
- Japan Adv Inst of Sci and Tech
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Calculating the force constant matrix via quantum Monte Carlo
ORAL
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Presenters
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Yu Yang Liu
- TCM Group, Cavendish Laboratory, Univ of Cambridge
Authors
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Yu Yang Liu
- TCM Group, Cavendish Laboratory, Univ of Cambridge
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Bartholomew Andrews
- Theory of Condensed Matter, University of Cambridge
- TCM Group, Cavendish Laboratory, Univ of Cambridge
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Gareth Conduit
- TCM Group, Cavendish Laboratory, Univ of Cambridge
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Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
ORAL
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Presenters
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Shiwei Zhang
- College of William and Mary
- Physics, The College of William and Mary
- Department of Physics, The College of William and Mary
- Department of Physics, College of William and Mary
- Physics, William & Mary Coll
Authors
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Mario Motta
- Division of Chemistry and Chemical Engineering, Caltech
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David Ceperley
- Department of Physics, University of Illinois at Urbana-Champaign
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Garnet Chan
- Caltech
- CCE, California Institute of Technology
- Division of Chemistry and Chemical Engineering, California Institute of Technology
- Division of Chemistry and Chemical Engineering, Caltech
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John Gomez
- Department of Chemistry, Rice University
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Emanuel Gull
- Univ of Michigan - Ann Arbor
- Physics, Univ of Michigan - Ann Arbor
- Physics, University Of Michigan
- Univ of Michigan
- Physics and Astronomy, University of Michigan
- Physics, Univ of Michigan
- University of Michigan
- Department of Physics, University of Michigan
- Physics, University of Michigan
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Sheng Guo
- Division of Chemistry and Chemical Engineering, Caltech
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Carlos Jiménez-Hoyos
- Department of Chemistry, Wesleyan University
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Tran Lan
- Department of Chemistry, University of Michigan
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Jia Li
- Physics, Univ of Michigan
- Physics, Univ of Michigan - Ann Arbor
- Department of Physics, University of Michigan
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Fengjie Ma
- Department of Physics, Beijing Normal University
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Andrew Millis
- Columbia Univ
- Columbia University
- Department of Physics, Columbia University and Center for Computational Quantum Physics, The Flatiron Institute
- Department of Physics, Columbia University; Center for Computational Quantum Physics, The Flatiron Institute
- Center for Computational Quantum Physics, The Flatiron Institute
- Center for Computational Quantum Physics, Flatiron Institute
- Department of Physics, Columbia University
- Physics, Columbia Univ and Flatiron Institute Center for Computational Quantum Physics
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Nikolai Prokof'ev
- University of Massachusetts
- Department of Physics, University of Massachusetts
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Ushnish Ray
- Division of Chemistry and Chemical Engineering, Caltech
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Gustavo Scuseria
- Department of Chemistry, Rice University
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Sandro Sorella
- SISSA
- Physics, SISSA
- SISSA-International School for Advanced Studies
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Edwin Stoudenmire
- Center for Computational Quantum Physics, Flatiron Institute
- University of California - Irvine
- Department of Physics and Astronomy, University of California at Irvine
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Qiming Sun
- Division of Chemistry and Chemical Engineering, Caltech
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Igor Tupitsyn
- Department of Physics, University of Massachusetts
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Steven White
- Physics, UC,Irvine
- Physics and Astronomy, University of California, Irvine
- Department of Physics and Astronomy, University of California, Irvine
- Univ of California - Irvine
- Department of Physics and Astronomy, University of California at Irvine
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Dominika Zgid
- Univ of Michigan - Ann Arbor
- Department of Chemistry, University of Michigan
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Shiwei Zhang
- College of William and Mary
- Physics, The College of William and Mary
- Department of Physics, The College of William and Mary
- Department of Physics, College of William and Mary
- Physics, William & Mary Coll
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Diffusion Monte Carlo Re-evaluation of Bulk Aluminium with QMCPACK
ORAL
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Presenters
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Adie Hanindriyo
- Energy and Environment, Japan Adv Inst of Sci and Tech
Authors
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Adie Hanindriyo
- Energy and Environment, Japan Adv Inst of Sci and Tech
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Hyeondeok Shin
- Leadership Computing Facility, argonne national laboratory
- Argonne National Laboratory
- Leadership Computing Facility, Argonne National Laboratory
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Anouar Benali
- Argonne Natl Lab
- Leadership Computing Facility, argonne national laboratory
- Argonne National Laboratory
- Leadership Computing Facility, Argonne National Laboratory
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Ryo Maezono
- Japan Adv Inst of Sci and Tech
- Japan Advanced Institute of Science and Technology, School of Information Science
- Energy and Environment, Japan Adv Inst of Sci and Tech
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Accelerating Quantum Monte Carlo via Graphics Processing Units
ORAL
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Presenters
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Benjamin Himberg
- Physics, Univ of Vermont
Authors
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Benjamin Himberg
- Physics, Univ of Vermont
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Adrian Del Maestro
- Univ of Vermont
- Physics, Univ of Vermont
- Department of Physics, University of Vermont
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Large-Scale GW Calculations on Pre-Exascale HPC Systems
ORAL
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Presenters
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Mauro Del Ben
- Lawrence Berkeley National Labratory
- Computational Research Division, Lawrence Berkeley National Laboratory
Authors
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Mauro Del Ben
- Lawrence Berkeley National Labratory
- Computational Research Division, Lawrence Berkeley National Laboratory
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Felipe H. da Jornada
- Department of Physics, UC Berkeley and Materials Sciences Division, Lawrence Berkeley National Lab
- Materials Sciences Division, Lawrence Berkeley National Laboratory & Department of Physics, University of California at Berkeley
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Andrew Canning
- Lawrence Berkeley National Labratory
- Computational Research Division, Lawrence Berkeley National Laboratory
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Nathan Wichmann
- Cray Inc.
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Karthik Raman
- Intel Corporation
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Ruchira Sasanka
- Intel Corporation
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Chao Yang
- Lawrence Berkeley National Laboratory
- Computational Research Division, Lawrence Berkeley National Laboratory
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Steven Louie
- Physics, University of California, Berkeley
- University of California, Berkeley
- Physics, Univ of California - Berkeley
- Univ of California - Berkeley
- Physics, UC Berkeley
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
- Department of Physics, University of California, Berkeley
- Physics Department, University of California Berkeley and Lawrence Berkeley National Lab
- Department of physics, University of California - Berkeley
- Lawrence Berkeley National Lab and University of California - Berkeley
- Materials Sciences Division, Lawrence Berkeley National Laboratory & Department of Physics, University of California at Berkeley
- UC Berkeley and Lawrence Berkeley National Lab
- Physics, University of California - Berkeley
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Jack Deslippe
- Lawrence Berkeley Natl Lab
- Lawrence Berkeley National Laboratory
- NERSC, Lawrence Berkeley National Laboratory
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Tuning the Polaronic Properties of Hybrid Organic-Inorganic Perovskites CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> by Mixing Cation
ORAL
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Presenters
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Liujiang Zhou
- Los Alamos National Laboratory
Authors
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Liujiang Zhou
- Los Alamos National Laboratory
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Amanda J. Neukirch
- Physics and Chemistry of Materials, Los Alamos National Laboratory
- Los Alamos National Laboratory
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Jacky Even
- INSA FOTON
- INSA de Rennes
- Université de Rennes 1
- Fonctions Optiques pour les Technologies de l’Information (FOTON), Institut National des Sciences Appliquées (INSA) de Rennes, CNRS, UMR 6082
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Claudine Katan
- Université de Rennes 1
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Sergei Tretiak
- Los Alamos Natl Lab
- Los Alamos National Lab
- Los Alamos National Laboratory
- Physics and Chemistry of Materials, Los Alamos National Laboratory
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HPC in Polymeric Materials: Unraveling the Morphologies of Miktoarm Star Terpolymers
ORAL
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Presenters
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Monojoy Goswami
- Center for Nanophase Materials Sciences, Oak Ridge National Lab
- Center for Nanophase Materials Science, Oak Ridge National Lab
- Computational Sciences and Engineering Division, Oak Ridge National Lab
Authors
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Monojoy Goswami
- Center for Nanophase Materials Sciences, Oak Ridge National Lab
- Center for Nanophase Materials Science, Oak Ridge National Lab
- Computational Sciences and Engineering Division, Oak Ridge National Lab
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Matthias Arras
- Neutron Scattering Division, Oak Ridge National Lab
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Gregory Smith
- Neutron Scattering Division, Oak Ridge National Lab
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Creation of defects in nanograin tungsten
ORAL
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Presenters
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Yang Zhang
- Material Science and Engineering, SUNY at Stony Brook
Authors
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Yang Zhang
- Material Science and Engineering, SUNY at Stony Brook
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Jason Trelewicz
- Material Science and Engineering, SUNY at Stony Brook
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Predrag Krstic
- IACS, SUNY at Stony Brook
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Three-Orbital Spin-Fermion Model for CuO<sub>2</sub> Planes
ORAL
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Presenters
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Mostafa Hussein
- Department of Physics and Astronomy, University of Tennessee, Knoxville
Authors
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Mostafa Hussein
- Department of Physics and Astronomy, University of Tennessee, Knoxville
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Christopher Bishop
- Department of Physics and Astronomy, University of Tennessee, Knoxville
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Elbio Dagotto
- Univ. of Tennessee
- Physics and Astronomy, University of Tennessee
- Department of Physics and Astronomy, Univ of Tennessee, Knoxville
- Department of Physics and Astronomy, University of Tennessee
- University of Tennessee
- University of Tennessee & Oak Ridge National Laboratory
- Department of Physics and Astronomy, University of Tennessee, Knoxville
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Adriana Moreo
- Univ. of Tennessee
- Department of Physics and Astronomy, Univ of Tennessee, Knoxville
- Univ of Tennessee and ORNL.
- University of Tennessee
- Univ of Tennessee, Knoxville
- Department of Physics and Astronomy, University of Tennessee, Knoxville
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Angle-Adjustable Phase Field Crystal Method for Modeling Crystalline Microstructures
ORAL
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Presenters
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Zile Wang
- College of Chemistry and Molecular Engineering, Peking University
Authors
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Zile Wang
- College of Chemistry and Molecular Engineering, Peking University
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Zhi-Rong Liu
- College of Chemistry and Molecular Engineering, Peking University
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Zhi Feng Huang
- Department of Physics and Astronomy, Wayne State University
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Ground state critical exponents in disordered XYZ spin chain
ORAL
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Presenters
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Brenden Roberts
- Caltech
Authors
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Brenden Roberts
- Caltech
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Olexei Motrunich
- Physics, California Institute of Technology
- California Institute of Technology
- Caltech
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