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DFT and Beyond II

FOCUS · B58 · ID: 353720

Presentations

  • Essential difference between the machine learning and artificial Kohn-Sham potentials

    ORAL

    –

    Presenters

    • Ryo Nagai

      Department of Physics, The University of Tokyo

    Authors

    • Ryo Nagai

      Department of Physics, The University of Tokyo

    • Kieron Burke

      University of California, Irvine, Departments of Physics and Astronomy and of Chemistry, University of California, Irvine

    • Ryosuke Akashi

      University of Tokyo, Department of Physics, The University of Tokyo

    • Osamu Sugino

      Department of Physics, The University of Tokyo

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  • Progress in the Development of Advanced Temperature-Dependent Free-Energy Density Functionals Beyond the Generalized Gradient Approximation

    ORAL

    –

    Presenters

    • Deyan Mihaylov

      Laboratory for Laser Energetics, University of Rochester

    Authors

    • Deyan Mihaylov

      Laboratory for Laser Energetics, University of Rochester

    • Brenda McLellan

      Laboratory for Laser Energetics, University of Rochester

    • Valentin V Karasiev

      Laboratory for Laser Energetics, University of Rochester

    • Suxing Hu

      Laboratory for Laser Energetics, University of Rochester, NY, Laboratory for Laser Energetics, University of Rochester

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  • Symmetry-Breaking Polymorphous Descriptions for Correlated Materials without Interelectronic <i>U</i>

    ORAL

    –

    Presenters

    • Jianwei Sun

      Tulane Univ, Tulane University, Physics and Engineering Physics, Tulane University

    Authors

    • Yubo Zhang

      Tulane University, Tulane Univ

    • James Furness

      Tulane Univ, Tulane University, Physics and Engineering Physics, Tulane University

    • Ruiqi Zhang

      Tulane Univ, Tulane University

    • Zhi Wang

      University of Colorado, Boulder, university of colorado

    • Alex Zunger

      University of Colorado, Boulder, University of Colorado Boulder, university of colorado

    • Jianwei Sun

      Tulane Univ, Tulane University, Physics and Engineering Physics, Tulane University

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  • A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction

    ORAL

    –

    Presenters

    • Rajendra Zope

      University of Texas, El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso, University of Texas at El Paso

    Authors

    • Rajendra Zope

      University of Texas, El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso, University of Texas at El Paso

    • Yoh Yamamoto

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Carlos Diaz

      Physics, University of Texas at El Paso, University of Texas, El Paso, University of Texas at El Paso

    • Tunna Baruah

      University of Texas, El Paso, University of Texas at El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso

    • Juan Peralta

      Physics, Central Michigan University, Central Michigan University, Central Michigan Univ

    • Koblar Alan Jackson

      Central Michigan University, Physics, Central Michigan University, Central Michigan Univ

    • Biswajit Santra

      Temple Univ, Temple University

    • John P. Perdew

      Temple Univ, Temple University, Depts. of Physics and Chemistry, Temple University

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  • Kohn-Sham effective potentials from FLOSIC using Ryabinkin-Kohut-Staroverov method

    ORAL

    –

    Presenters

    • Carlos Diaz

      Physics, University of Texas at El Paso, University of Texas, El Paso, University of Texas at El Paso

    Authors

    • Carlos Diaz

      Physics, University of Texas at El Paso, University of Texas, El Paso, University of Texas at El Paso

    • Luis Basurto

      University of Texas, El Paso

    • Rajendra Zope

      University of Texas, El Paso, Physics, University of Texas at El Paso, Physics, University of Texas, El Paso, University of Texas at El Paso

    View abstract →