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Materials in Extremes: Advanced Simulations

FOCUS · F23 · ID: 381918

Presentations

  • Melting line of dense hydrogen from hierarchical machine learning using diffusion Monte Carlo data

    ORAL

    –

    Presenters

    • Hongwei Niu

      Department of Astronautical Science and Mechanics, Harbin Institute of Technology

    Authors

    • Hongwei Niu

      Department of Astronautical Science and Mechanics, Harbin Institute of Technology

    • Yubo Yang

      Department of Physics, University of Illinois

    • Scott Jensen

      University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois

    • Markus Holzmann

      Univ. Grenoble Alpes

    • CARLO PIERLEONI

      University of L’Aquila, Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud,UVSQ, Université Paris-Saclay, 91191 Gif-sur-Yvette, France, Department of Physical and Chemical Sciences, University of L, Department of Physical and Chemical Sciences, University of L'Aquila

    • David M Ceperley

      University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois, Urbana, Illinois 61801, USA, Department of Physics, University of Illinois

    View abstract →

  • Quantum Monte Carlo determination of the principal Hugoniot of deuterium

    ORAL

    –

    Presenters

    • Michele Ruggeri

      Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud, UVSQ, Université Paris-Saclay, 91191 Gif-sur-Yvette, France

    Authors

    • Michele Ruggeri

      Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud, UVSQ, Université Paris-Saclay, 91191 Gif-sur-Yvette, France

    • Markus Holzmann

      Univ. Grenoble Alpes, Univ. Grenoble Alpes, CNRS, LPMMC, 3800 Grenoble, France, Institut Laue Langevin, BP 156, F-38042 Grenoble Cedex 9, France

    • David M Ceperley

      University of Illinois at Urbana-Champaign, Department of Physics, University of Illinois, Urbana, Illinois 61801, USA, Department of Physics, University of Illinois

    • CARLO PIERLEONI

      University of L’Aquila, Maison de la Simulation, CEA, CNRS, Univ. Paris-Sud,UVSQ, Université Paris-Saclay, 91191 Gif-sur-Yvette, France, Department of Physical and Chemical Sciences, University of L, Department of Physical and Chemical Sciences, University of L'Aquila

    View abstract →

  • Isotope effects in the phase diagram of hydrogen and deuterium

    ORAL

    –

    Presenters

    • Graeme Ackland

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

    Authors

    • Graeme Ackland

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

    • Hongxiang Zong

      Centre for Science at Extreme Conditions and School of Physics and Astronomy, The University of Edinburgh, Jiaotong Univeraity, Xi'an

    • Heather Wiebe

      Univ of Edinburgh

    • Sebastiaan van der Bund

      Univ of Edinburgh

    View abstract →

  • Quantum-accurate SNAP Carbon Potential for MD Simulations of Carbon at Extreme Conditions

    ORAL

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    Presenters

    • Jonathan Willman

      University of South Florida

    Authors

    • Jonathan Willman

      University of South Florida

    • Ashley Williams

      University of South Florida

    • Kien Nguyen Cong

      University of South Florida

    • Anatoly B Belonoshko

      Royal Institute of Technology

    • Mitchell Wood

      Sandia National Laboratories

    • Aidan Thompson

      Sandia National Laboratories

    • Ivan Oleynik

      University of South Florida

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  • Time dependent boundary conditions for large scale atomistic simulations of shocked surface instabilities

    ORAL

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    Presenters

    • Ramon Ravelo

      Computational Science, University of Texas at El Paso, University of Texas at El Paso

    Authors

    • James Edward Hammerberg

      Los Alamos National Laboratory

    • Ramon Ravelo

      Computational Science, University of Texas at El Paso, University of Texas at El Paso

    • Timothy C Germann

      Los Alamos National Laboratory, Los Alamos Natl Lab

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  • Phonon Anharmonicity In The Vibrational Entropy Of Transition Metals

    ORAL

    –

    Presenters

    • BIMAL K C

      Computational Science, University of Texas at El Paso

    Authors

    • BIMAL K C

      Computational Science, University of Texas at El Paso

    • Celia Garcia Amparan

      Material Science, University of Texas at El Paso

    • Ramon Ravelo

      Computational Science, University of Texas at El Paso, University of Texas at El Paso

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  • Development of RF-MEAM interatomic potentials for high temperature diborides

    ORAL

    –

    Presenters

    • Bikash Timalsina

      Missouri State Univ

    Authors

    • Bikash Timalsina

      Missouri State Univ

    • Alin Niraula

      Department of Physics, Astronomy, and Materials Science, Missouri State University, Missouri State Univ

    • Andrew Ian Duff

      Scientific Computing Department, Daresbury Laboratory STFC, Scientific Computing Department, Daresbury Laboratory

    • Gregory E Hilmas

      Missouri state of science and technology, Materials Science and Engineering, Missouri University of Science and Technology

    • William G. Fahrenholtz

      Materials Science and Engineering, Missouri University of Science and Technology

    • Ridwan Sakidja

      Missouri State Univ, Physics, Astronomy, and Material Science, Missouri State University, Department of Physics, Astronomy, and Materials Science, Missouri State University

    View abstract →