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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