Matter at Extreme Conditions: Theory for Explosives and Chemistry
FOCUS · Q20 · ID: 1067026
Presentations
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Supervised and Unsupervised Learning in Atomistic Simulations of Materials Under Reactive Conditions
ORAL · Invited
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Presenters
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Nir Goldman
Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab
Authors
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Nir Goldman
Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab
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James Chapman
Boston University, Department of Mechanical Engineering, Lawrence Livermore National Laboratory
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Rebecca Lindsey
University of Michigan, Department of Chemical Engineering, University of Michigan - Ann Arbor
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Laurence E Fried
Lawrence Livermore Natl Lab
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Multiscale Strategy for Predicting Radiation Chemistry in Polymers
ORAL
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Publication: J. Chem. Theory Comput. 18, 5117 (2022)
Presenters
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Matthew P Kroonblawd
Lawrence Livermore National Laboratory
Authors
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Matthew P Kroonblawd
Lawrence Livermore National Laboratory
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Anthony Yoshimura
Lawrence Livermore National Laboratory
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Nir Goldman
Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab
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Amitesh Maiti
Lawrence Livermore National Laboratory
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James P Lewicki
Lawrence Livermore National Laboratory
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Andrew P Saab
Lawrence Livermore National Laboratory
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Ab Initio Study of the Origin of Life in the Upper Mantle of Earth
ORAL
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Presenters
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Tao Li
Department of Physics, The Hong Kong University of Science a
Authors
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Tao Li
Department of Physics, The Hong Kong University of Science a
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Ding Pan
Hong Kong University of Science and Tech
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High explosive shock initiation model with shear band reactivity and carbon condensation effects
ORAL
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Presenters
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Joel G Christenson
Lawrence Livermore National Laboratory
Authors
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Joel G Christenson
Lawrence Livermore National Laboratory
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Matthew P Kroonblawd
Lawrence Livermore National Laboratory
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Laurence E Fried
Lawrence Livermore Natl Lab
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Microscopic mechanism of nanoscale shear bands in an energetic molecular crystal (α-RDX): a first-order structural phase transition
ORAL
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Publication: S. Izvekov and B.M. Rice, "Microscopic mechanism of nanoscale shear bands in an energetic molecular crystal (alpha-RDX): A first-order structural phase transition", Phys. Rev. B, (2022), DOI: 10.1103/PhysRevB.00.004100
Presenters
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Sergei Izvekov
US Army Research Lab Aberdeen
Authors
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Sergei Izvekov
US Army Research Lab Aberdeen
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Betsy M Rice
US Army Research Lab Aberdeen
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Large scale atomistic simulations on polymer-bonded energetic materials
ORAL
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Presenters
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Chunyu Li
Purdue University
Authors
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Chunyu Li
Purdue University
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Modeling Carbon Condensation in Detonation of High Explosives: A Tale of Two Approximations
ORAL
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Presenters
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Kirill A Velizhanin
Los Alamos Natl Lab
Authors
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Kirill A Velizhanin
Los Alamos Natl Lab
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Erik B Watkins
Oak Ridge National Laboratory
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Ab-initio Dynamics of the sp<sup>2</sup>/sp<sup>3</sup> Structural Evolution in Amorphous Carbon (a-C) and (a-CN)
ORAL
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Presenters
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Brad Steele
Lawrence Livermore Natl Lab
Authors
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Brad Steele
Lawrence Livermore Natl Lab
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Sorin Bastea
Lawrence Livermore Natl Lab
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I-Feng Kuo
Lawrence Livermore Natl Lab
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Efficiency of Energy Localization in Hotspot Formation for Complex Pore Collapse Mechanisms
ORAL
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Presenters
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Brenden W Hamilton
Los Alamos National Laboratory
Authors
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Brenden W Hamilton
Los Alamos National Laboratory
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Timothy C Germann
Los Alamos Natl Lab
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The speciation of Platinum and Palladium in aqueous carbonates
ORAL
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Publication: NO
Presenters
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Thi Lien Le
University of Chicago
Authors
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Thi Lien Le
University of Chicago
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Giulia Galli
University of Chicago, University of Chicago, Argonne National Laboratory, Pritzker School of Molecular Engineering and Department of Chemistry, University of Chicago, IL, USA; Materials Science Division, Argonne National Laboratory, IL, USA, Argonne National Laboratory and University of Chicago
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Effects of Chain Length on the Dynamics and Structure of a Model Polyimide Under Uniaxial Loading
ORAL
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Presenters
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Nicholas T Liesen
Lawrence Livermore National Laboratory
Authors
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Nicholas T Liesen
Lawrence Livermore National Laboratory
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Matthew P Kroonblawd
Lawrence Livermore National Laboratory
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Amitesh Maiti
Lawrence Livermore Natl Lab
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Christy Fox
Lawrence Livermore National Lab
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Graham Kosiba
Lawrence Livermore Natl Lab
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Richard H Gee
Lawrence Livermore National Lab
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Pressure dependence of sound velocity, equation of state, and structure of vitons
ORAL
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Presenters
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Jonathan K Simon
University of Illinois at Chicago
Authors
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Charlie M Zoller
University of Illinois at Chicago, Department of Physics, University of Illinois Chicago
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Jonathan K Simon
University of Illinois at Chicago
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Rostislav Hrubiak
Argonne National Laboratory, HPCAT, X-Ray Science Division, Argonne National Laboratory
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Curtis Keeney-Benson
HPCAT, HPCAT, X-Ray Science Division, Argonne National Laboratory
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Muhtar Ahart
University of Illinois at Chicago, Carnegie Inst of Washington, University of Illinois Chicago, Department of Physics, University of Illinois at Chicago
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Russell J Hemley
University of Illinois at Chicago, University of Illinois Chicago, Departments of Physics, Chemistry, and Earth and Environmental Sciences, University of Illinois Chicago, Department of Physics and Chemistry, University of Illinois Chicago, 845, W. Taylor Street, Chicago, IL 60607, Departments of Physics, Chemistry, and Earth and Environmental Sciences, University of Illinois at Chicago
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