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Matter at Extreme Conditions: Simulation and Novel Methods

FOCUS · N20 · ID: 1067028

Presentations

  • Machine learning-based quantum accurate interatomic potentials for warm dense matter

    ORAL

    –

    Presenters

    • Sandeep Kumar

      Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany

    Authors

    • Sandeep Kumar

      Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany

    • Hossein Tahmasbi

      Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany

    • Mani Lokamani

      Information Services and Computing, Helmholtz-Zentrum Dresden-Rossendorf (HZDR), 01328 Dresden, Germany

    • Kushal Ramakrishna

      Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany

    • Attila Cangi

      Helmholtz Zentrum Dresden-Rossendorf, Center for Advanced Systems Understanding (CASUS), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), D-02826 Görlitz, Germany

    View abstract →

  • Development of Artificial intelligence-based Interatomic Potentials High-Entropy Diborides for Modelling the Physical and Thermal Properties

    ORAL

    –

    Presenters

    • Nur Aziz Octoviawan

      Physics, Astronomy and Materials Science, Missouri State University

    Authors

    • Nur Aziz Octoviawan

      Physics, Astronomy and Materials Science, Missouri State University

    • Gregory E Hilmas

      Materials Science and Engineering, Missouri University of Science and Technology

    • William G Fahrenholtz

      Missouri University of Science and Technology, Materials Science and Engineering, Missouri University of Science and Technology

    • Ridwan Sakidja

      Missouri State University, Physics, Astronomy and Materials Science, Missouri State University

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  • Ab initio high pressure and temperature phase diagram of Au

    ORAL

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    Presenters

    • Pauline Richard

      CEA, DAM, DIF

    Authors

    • Johann Bouchet

      CEA DES IRESNE DEC

    • Pauline Richard

      CEA, DAM, DIF

    • Francois Bottin

      CEA, DAM, DIF

    • Grégory Geneste

      CEA, DAM, DIF, Université Paris-Saclay, CEA

    • Alois Castellano

      NanoMat/Q-Mat/CESAM and European Theoretical Spectroscopy Facility, Université de Liège Belgium

    • Romuad Béjaud

      CEA, DAM, DIF

    View abstract →

  • Stable solid molecular hydrogen above 900K from a machine-learned potential trained with diffusion Quantum Monte Carlo

    ORAL

    –

    Publication: H. Niu, Y. Yang, S. Jensen, M. Holzmann, C. Pierleoni, and D. M. Ceperley, arXiv:2209.00658, (2022)

    Presenters

    • Scott Jensen

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

    Authors

    • Scott Jensen

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

    • Hongwei Niu

      Harbin Institute of Technology

    • Yubo Yang

      Center for Computational Quantum Physics, Flatiron Institute

    • Markus Holzmann

      CNRS

    • CARLO PIERLEONI

      Univ of L'Aquila

    • David M Ceperley

      University of Illinois

    View abstract →

  • Variant Selections under Shock-induced Phase Transformation and deformation Twinning in BCC Metal Microstructures.

    ORAL · Invited

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    Presenters

    • Avinash Dongare

      University of Connecticut

    Authors

    • Avinash Dongare

      University of Connecticut

    • Michal G Szurek

      California Institute of Technology, Lawrence Berkeley National Laboratory, SLAC National Accelerator Laboratory, University of Connecticut, Max Planck Institute for Chemical Physics of Solid, Massachusetts Institute of Technology

    • Marco Echeverria

      University of Connecticut

    • Ke Ma

      University of Connecticut

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  • Finite-temperature lattice dynamics of FeV at high pressure from first principles

    ORAL

    –

    Presenters

    • Jorge A Munoz

      University of Texas at El Paso

    Authors

    • Jorge A Munoz

      University of Texas at El Paso

    • Homero Reyes Pulido

      University of Texas at El Paso

    • BIMAL K C

      University of Texas at El Paso

    • 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

    • Ravhi Kumar

      University of Illinois at Chicago, University of Illinois Chicago, Department of Physics, University of Illinois Chicago, 845, W. Taylor Street, Chicago, IL 60607, University of Illinois, Chicago, Department of Physics, University of Illinois at Chicago

    View abstract →

  • Superconductivity of cerium hydride at high pressure from DFT+DFPT+DMFT

    ORAL

    –

    Presenters

    • Yao Wei

      University of Cambridge, King's College London

    Authors

    • Yao Wei

      University of Cambridge, King's College London

    • Siyu Chen

      University of Cambridge

    • Evgeny Plekhanov

      King's College London

    • Samuel Poncé

      Université catholique de Louvain

    • Bartomeu Monserrat

      University of Cambridge, Univ of Cambridge

    • Cedric Weber

      King's College London

    View abstract →