Materials at Extreme Conditions: Theory and Simulations

ORAL · P01

Presentations

  • First-principles study of the melting curve of iron

    ORAL

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    Presenters

    • Felipe González-Cataldo

      Department of Earth and Planetary Science, Univ of California - Berkeley

    Authors

    • Felipe González-Cataldo

      Department of Earth and Planetary Science, Univ of California - Berkeley

    • Burkhard Militzer

      Department of Earth and Planetary Science, Univ of California - Berkeley, Univ of California - Berkeley, University of California Berkeley

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  • Computationally tractable approaches to ultra-high temperature anharmonicity

    ORAL

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    Presenters

    • Thomas Mellan

      Department of Materials, Thomas Young Centre, Imperial College

    Authors

    • Thomas Mellan

      Department of Materials, Thomas Young Centre, Imperial College

    • Andrew Duff

      Scientific Computing Department, Hartree Centre, STFC Daresbury Laboratory

    • Blazej Grabowski

      Max-Planck-Institut für Eisenforschung GmbH

    • Jörg Neugebauer

      Max-Planck-Institut für Eisenforschung GmbH

    • Michael Finnis

      Department of Physics and Materials, Thomas Young Centre, Imperial College London

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  • Pre-melting <i>hcp </i>to <i>bcc </i>Transition in Beryllium

    ORAL

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    Presenters

    • Renata Wentzcovitch

      Department of Applied Physics and Applied Mathematics and Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University, Applied Physics and Mathematics, Columbia University, Columbia Univ, Applied Physics and Applied Mathematics, Columbia University, Columbia University, Department of Applied Physics and Applied Mathematics, Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University

    Authors

    • Dong-Bo Zhang

      Condensed Matter, Beijing Computational Science Research Center, Condensed Matter , Beijing Computational Science Research Center, Beijing Computational Science Research Center

    • Peihong Zhang

      Physics, State University of New York, State Univ of NY - Buffalo, State Univ of New York at Buffalo

    • Renata Wentzcovitch

      Department of Applied Physics and Applied Mathematics and Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University, Applied Physics and Mathematics, Columbia University, Columbia Univ, Applied Physics and Applied Mathematics, Columbia University, Columbia University, Department of Applied Physics and Applied Mathematics, Department of Earth and Environmental Sciences, Lamont Doherty Earth Observatory, Columbia University

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  • Finding the Right Density from the Wrong Temperature with Thermal Density Functional Theory

    ORAL

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    Presenters

    • Justin Smith

      Mathematics, University of California, Los Angeles

    Authors

    • Justin Smith

      Mathematics, University of California, Los Angeles

    • Kieron Burke

      Physics and Chemistry, Univ of California - Irvine, Chemistry, Univ of California - Irvine, University of California Irvine, Chemistry, University of California, Chemistry, University of California, Irvine, University of California, Irvine, Univ of California - Irvine, Department of Chemistry, University of California-Irvine

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  • Topology in the Quantum Limit

    ORAL

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    Presenters

    • Ross McDonald

      Los Alamos National Laboratory, National High Magnetic Field Laboratory, Pulsed Field Facility, Los Alamos National Lab, Los Alamos Natl Lab, LANL/NHMFL, NHMFL-PFF, Los Alamos National Laboratory, National High Magnetic Field Laboratory, LANL

    Authors

    • Ross McDonald

      Los Alamos National Laboratory, National High Magnetic Field Laboratory, Pulsed Field Facility, Los Alamos National Lab, Los Alamos Natl Lab, LANL/NHMFL, NHMFL-PFF, Los Alamos National Laboratory, National High Magnetic Field Laboratory, LANL

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  • Strain Functionals: A Symmetry-adapted Set of Descriptors for Characterizing Atomic Geometries and Potential Energy Functions

    ORAL

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    Presenters

    • Nithin Mathew

      Group T-1, Theoretical Division, Los Alamos National Laboratory

    Authors

    • Nithin Mathew

      Group T-1, Theoretical Division, Los Alamos National Laboratory

    • Sven Rudin

      Group T-1, Theoretical Division, Los Alamos National Laboratory

    • Edward Kober

      Los Alamos National Laboratory, Theoretical Division, Los Alamos National Laboratory, Group T-1, Theoretical Division, Los Alamos National Laboratory

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  • The stability and the structures of Fe-I and Fe-Br compounds under Earth core condition

    ORAL

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    Presenters

    • Xiaoli Wang

      School of Physics and Electronic Engineering, Linyi University

    Authors

    • Xiaoli Wang

      School of Physics and Electronic Engineering, Linyi University

    • Jianfu Li

      School of Physics and Electronic Engineering, Linyi University

    • Frank Spera

      Department of Earth Science, University of California Santa Barbara, Earth of Science, University of California Santa Barbara

    • Matthew Jackson

      Department of Earth Science, University of California Santa Barbara, Earth of Science, University of California Santa Barbara

    • Maosheng Miao

      Chemistry and Biochemistry, California State University Northridge, California State University, Northridge, Cal State Univ - Northridge, Chemistry and Biochemistry, California State University, Northridge, Department of Chemistry and Biochemistry, California State University, Northridge

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  • Pressure-Stabilized Semiconducting Electrides in Alkaline-Earth-Metal Subnitrides

    ORAL

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    Presenters

    • Yunwei Zhang

      College of Physics, State Key Lab of Superhard Materials, Jilin Unversity

    Authors

    • Yunwei Zhang

      College of Physics, State Key Lab of Superhard Materials, Jilin Unversity

    • Weikang Wu

      Research Laboratory for Quantum Materials, Singapore University of Technology and Design

    • Yanchao Wang

      State Key Laboratory of Superhard Materials, Jilin University, College of Physics, State Key Lab of Superhard Materials, Jilin Unversity

    • Shengyuan Yang

      Singapore University of Technology and Design, Research Laboratory for Quantum Materials, Singapore University of Technology and Design, Singapore U. of Tec. and Design, Engineering Product Development Pillar, Singapore University of Technology and Design

    • Yanming Ma

      State Key Laboratory of Superhard Materials, Jilin University, Jilin University, College of Physics, State Key Lab of Superhard Materials, Jilin Unversity

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  • Chemistry without Chemical Bonds: Reactivity of He with Ionic Compounds under High Pressure

    ORAL

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    Presenters

    • Zhen Liu

      Beijing Computational Science Research Center, Simulation of Physical Systems Division, Beijing Computational Science Research Center

    Authors

    • Zhen Liu

      Beijing Computational Science Research Center, Simulation of Physical Systems Division, Beijing Computational Science Research Center

    • Jorge Botana

      Beijing Computational Science Research Center, California State University, Northridge, Simulation of Physical Systems Division, Beijing Computational Science Research Center

    • Andreas Hermann

      Centre for Science at Extreme Conditions and SUPA, School of Physics and Astronomy, The University of Edinburgh, Univ of Edinburgh

    • Steven Valdez

      Chemistry and Biochemistry, California State University, Northridge

    • Eva Zurek

      Department of Chemistry, State University of New York at Buffalo, Department of Chemistry, University of Buffalo

    • Dadong Yan

      Department of Physics, Beijing Normal University

    • Hai-Qing Lin

      Simulation of Physical Systems Division, Beijing Computational Science Research Center, Beijing Computational Science Research Center, Bejing Computational Science Research Center

    • Maosheng Miao

      Chemistry and Biochemistry, California State University Northridge, California State University, Northridge, Cal State Univ - Northridge, Chemistry and Biochemistry, California State University, Northridge, Department of Chemistry and Biochemistry, California State University, Northridge

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