Computational Physics I

Presentations

• SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials

  ORAL · Invited

  Oct. 21, 2016, 1:00 PM – Oct. 21, 2016, 1:24 PM

  Authors

  • Jianwei Sun

    • University of Texas at El Paso
    • The University of Texas at El Paso

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• Structural and Ferroelectric Properties of Prototypical Ferroelectric Materials: Comparative first-principles investigations

  ORAL

  Oct. 21, 2016, 1:24 PM – Oct. 21, 2016, 1:36 PM

  Authors

  • Yubo Zhang

    • University of Texas at El Paso

  • Jianwei Sun

    • University of Texas at El Paso
    • The University of Texas at El Paso

  • John Perdew

    • Temple University

  • Xifan Wu

    • Temple University

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• Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad in explicit solvent

  ORAL

  Oct. 21, 2016, 1:36 PM – Oct. 21, 2016, 1:48 PM

  Authors

  • Carlos Diaz

    • University of Texas at El Paso

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• Invariant Representations of Materials (Or, Making Machine Learning Work)

  ORAL

  Oct. 21, 2016, 1:48 PM – Oct. 21, 2016, 2:00 PM

  Authors

  • Gus Hart

    • Brigham Young University

  • Chandramouli Nyshadham

    • Brigham Young University

  • Jacob E. Hansen

    • Brigham Young University

  • Conrad W. Rosenbrock

    • Brigham Young University

  • Andrew Nguyen

    • Brigham Young University

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• Discovering materials using machine learning

  ORAL

  Oct. 21, 2016, 2:00 PM – Oct. 21, 2016, 2:12 PM

  Authors

  • Chandramouli Nyshadham

    • Brigham Young University

  • Andrew Nguyen

    • Brigham Young University

  • Jacob Hansen

    • Brigham Young University

  • Gus Hart

    • Brigham Young University

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• Characterizing and Understanding Parameterized Models through Information Topology

  ORAL

  Oct. 21, 2016, 2:12 PM – Oct. 21, 2016, 2:24 PM

  Authors

  • Kolten Barfuss

    • Brigham Young University Department of Physics and Astronomy

  • Dr. Mark Transtrum

    • Department of Physics and Astronomy, Brigham Young University
    • Brigham Young University Department of Physics and Astronomy

  • Alexander Shumway

    • Brigham Young University Department of Mathematics

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