Computational Physics I

Presentations

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

  ORAL · Invited

  Oct. 21, 2016, 3:00 PM – Oct. 21, 2016, 3:24 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, 3:24 PM – Oct. 21, 2016, 3:36 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, 3:36 PM – Oct. 21, 2016, 3:48 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, 3:48 PM – Oct. 21, 2016, 4:00 PM

  Authors

  • Gus Hart

    Brigham Young University

  • William Stockwell

    Logan High School, University of Tsukuba, Department of Physics, University of Texas at El Paso, El Paso, TX, Division of Engineering, Mayo Clinic, Rochester, MN, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Utah Valley University, University of New Mexico, Brigham Young University, Moxtek, INC, New Mexico State University, Oak Ridge National Laboratory, Oak Ridge TN 37830, USA, Los Alamos National Laboratory, Argonne National Laboratory, Embry-Riddle Aeronautical University, University of Newcastle, University of Sydney, Brigham Young University Provo, Rice University, Perimeter Institute and University of Guelph, University of Reims Champagne-Ardenne, France, Texas A&M University, University of Illinois at Urbana-Champaign, University of Valencia, Spain, None, University of Texas at El Paso, Universidad Simon Bolivar, Universidad Autonoma de Ciudad Juarez, Brigham Young University - Provo, Morgan High School - Morgan, UT, Utah State University, University of Tsukaba, Chemistry Research Center, US Air Force Academy, USAFA, JILA, University of Colorado Boulder, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, El Paso, TX, Department of Orthopedics, Mayo Clinic, Rochester, MN, Colorado State University, National Research Tomsk Polytechnic University \& New Mexico State University,, National Institute of Standards and Technology Center for Neutron Research, Oak Ridge National Laboratory, Huazhong University of Science and Technology, U of Utah, NMSU, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Chemical Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA, INM - Leibniz Institute for New Materials, Saarbrucken, Germany, Department of Physics, The University of Texas at El Paso, El Paso, Texas, 7996, UTEP, Arizona State University, The University of Texas at El Paso, none, National Renewable Energy Laboratory, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, Division of Engineering, Mayo Clinic, Department of Neurologic Surgery, Mayo Clinic, Department of Physics & Astronomy, Texas A&M University, Commerce,TX-75428, USA., INFN, Sezione di Pisa, Largo Pontecorvo 3, 56127 Pisa, Italy, Texas A&M University Commerce, Commerce, Texas-75429, Department of Physics and Astronomy, Texas A&M University-Commerce, Commerce, Texas 75429, USA, Cyclotron Institute, Texas A&M University, College Station, Texas 77843, USA, Department of Physics, University of Texas at El Paso, University of Delaware, IIT INDORE, UT AUSTIN, Idaho Accelerator Center, Brigham Young University, Physics and Astronomy, Univesidad de Guanajuato, Fermilab, École Polytechnique Fédérale de Lausanne, RadiaSoft, LLC, Weber State University, University of Texas at Dallas, National High Magnetic Field Laboratory, University of Texas Southwestern Medical Center, University of Alabama in Huntsville, Marshall Space Flight Center, NASA, Howard University

  • William Stockwell

    Logan High School, University of Tsukuba, Department of Physics, University of Texas at El Paso, El Paso, TX, Division of Engineering, Mayo Clinic, Rochester, MN, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Utah Valley University, University of New Mexico, Brigham Young University, Moxtek, INC, New Mexico State University, Oak Ridge National Laboratory, Oak Ridge TN 37830, USA, Los Alamos National Laboratory, Argonne National Laboratory, Embry-Riddle Aeronautical University, University of Newcastle, University of Sydney, Brigham Young University Provo, Rice University, Perimeter Institute and University of Guelph, University of Reims Champagne-Ardenne, France, Texas A&M University, University of Illinois at Urbana-Champaign, University of Valencia, Spain, None, University of Texas at El Paso, Universidad Simon Bolivar, Universidad Autonoma de Ciudad Juarez, Brigham Young University - Provo, Morgan High School - Morgan, UT, Utah State University, University of Tsukaba, Chemistry Research Center, US Air Force Academy, USAFA, JILA, University of Colorado Boulder, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, El Paso, TX, Department of Orthopedics, Mayo Clinic, Rochester, MN, Colorado State University, National Research Tomsk Polytechnic University \& New Mexico State University,, National Institute of Standards and Technology Center for Neutron Research, Oak Ridge National Laboratory, Huazhong University of Science and Technology, U of Utah, NMSU, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Chemical Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA, INM - Leibniz Institute for New Materials, Saarbrucken, Germany, Department of Physics, The University of Texas at El Paso, El Paso, Texas, 7996, UTEP, Arizona State University, The University of Texas at El Paso, none, National Renewable Energy Laboratory, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, Division of Engineering, Mayo Clinic, Department of Neurologic Surgery, Mayo Clinic, Department of Physics & Astronomy, Texas A&M University, Commerce,TX-75428, USA., INFN, Sezione di Pisa, Largo Pontecorvo 3, 56127 Pisa, Italy, Texas A&M University Commerce, Commerce, Texas-75429, Department of Physics and Astronomy, Texas A&M University-Commerce, Commerce, Texas 75429, USA, Cyclotron Institute, Texas A&M University, College Station, Texas 77843, USA, Department of Physics, University of Texas at El Paso, University of Delaware, IIT INDORE, UT AUSTIN, Idaho Accelerator Center, Brigham Young University, Physics and Astronomy, Univesidad de Guanajuato, Fermilab, École Polytechnique Fédérale de Lausanne, RadiaSoft, LLC, Weber State University, University of Texas at Dallas, National High Magnetic Field Laboratory, University of Texas Southwestern Medical Center, University of Alabama in Huntsville, Marshall Space Flight Center, NASA, Howard University

  • William Stockwell

    Logan High School, University of Tsukuba, Department of Physics, University of Texas at El Paso, El Paso, TX, Division of Engineering, Mayo Clinic, Rochester, MN, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Utah Valley University, University of New Mexico, Brigham Young University, Moxtek, INC, New Mexico State University, Oak Ridge National Laboratory, Oak Ridge TN 37830, USA, Los Alamos National Laboratory, Argonne National Laboratory, Embry-Riddle Aeronautical University, University of Newcastle, University of Sydney, Brigham Young University Provo, Rice University, Perimeter Institute and University of Guelph, University of Reims Champagne-Ardenne, France, Texas A&M University, University of Illinois at Urbana-Champaign, University of Valencia, Spain, None, University of Texas at El Paso, Universidad Simon Bolivar, Universidad Autonoma de Ciudad Juarez, Brigham Young University - Provo, Morgan High School - Morgan, UT, Utah State University, University of Tsukaba, Chemistry Research Center, US Air Force Academy, USAFA, JILA, University of Colorado Boulder, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, El Paso, TX, Department of Orthopedics, Mayo Clinic, Rochester, MN, Colorado State University, National Research Tomsk Polytechnic University \& New Mexico State University,, National Institute of Standards and Technology Center for Neutron Research, Oak Ridge National Laboratory, Huazhong University of Science and Technology, U of Utah, NMSU, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Chemical Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA, INM - Leibniz Institute for New Materials, Saarbrucken, Germany, Department of Physics, The University of Texas at El Paso, El Paso, Texas, 7996, UTEP, Arizona State University, The University of Texas at El Paso, none, National Renewable Energy Laboratory, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, Division of Engineering, Mayo Clinic, Department of Neurologic Surgery, Mayo Clinic, Department of Physics & Astronomy, Texas A&M University, Commerce,TX-75428, USA., INFN, Sezione di Pisa, Largo Pontecorvo 3, 56127 Pisa, Italy, Texas A&M University Commerce, Commerce, Texas-75429, Department of Physics and Astronomy, Texas A&M University-Commerce, Commerce, Texas 75429, USA, Cyclotron Institute, Texas A&M University, College Station, Texas 77843, USA, Department of Physics, University of Texas at El Paso, University of Delaware, IIT INDORE, UT AUSTIN, Idaho Accelerator Center, Brigham Young University, Physics and Astronomy, Univesidad de Guanajuato, Fermilab, École Polytechnique Fédérale de Lausanne, RadiaSoft, LLC, Weber State University, University of Texas at Dallas, National High Magnetic Field Laboratory, University of Texas Southwestern Medical Center, University of Alabama in Huntsville, Marshall Space Flight Center, NASA, Howard University

  • William Stockwell

    Logan High School, University of Tsukuba, Department of Physics, University of Texas at El Paso, El Paso, TX, Division of Engineering, Mayo Clinic, Rochester, MN, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Utah Valley University, University of New Mexico, Brigham Young University, Moxtek, INC, New Mexico State University, Oak Ridge National Laboratory, Oak Ridge TN 37830, USA, Los Alamos National Laboratory, Argonne National Laboratory, Embry-Riddle Aeronautical University, University of Newcastle, University of Sydney, Brigham Young University Provo, Rice University, Perimeter Institute and University of Guelph, University of Reims Champagne-Ardenne, France, Texas A&M University, University of Illinois at Urbana-Champaign, University of Valencia, Spain, None, University of Texas at El Paso, Universidad Simon Bolivar, Universidad Autonoma de Ciudad Juarez, Brigham Young University - Provo, Morgan High School - Morgan, UT, Utah State University, University of Tsukaba, Chemistry Research Center, US Air Force Academy, USAFA, JILA, University of Colorado Boulder, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, El Paso, TX, Department of Orthopedics, Mayo Clinic, Rochester, MN, Colorado State University, National Research Tomsk Polytechnic University \& New Mexico State University,, National Institute of Standards and Technology Center for Neutron Research, Oak Ridge National Laboratory, Huazhong University of Science and Technology, U of Utah, NMSU, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN, Chemical Science Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA, INM - Leibniz Institute for New Materials, Saarbrucken, Germany, Department of Physics, The University of Texas at El Paso, El Paso, Texas, 7996, UTEP, Arizona State University, The University of Texas at El Paso, none, National Renewable Energy Laboratory, Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Department of Physics, Border Biomedical Research Center, University of Texas at El Paso, Division of Engineering, Mayo Clinic, Department of Neurologic Surgery, Mayo Clinic, Department of Physics & Astronomy, Texas A&M University, Commerce,TX-75428, USA., INFN, Sezione di Pisa, Largo Pontecorvo 3, 56127 Pisa, Italy, Texas A&M University Commerce, Commerce, Texas-75429, Department of Physics and Astronomy, Texas A&M University-Commerce, Commerce, Texas 75429, USA, Cyclotron Institute, Texas A&M University, College Station, Texas 77843, USA, Department of Physics, University of Texas at El Paso, University of Delaware, IIT INDORE, UT AUSTIN, Idaho Accelerator Center, Brigham Young University, Physics and Astronomy, Univesidad de Guanajuato, Fermilab, École Polytechnique Fédérale de Lausanne, RadiaSoft, LLC, Weber State University, University of Texas at Dallas, National High Magnetic Field Laboratory, University of Texas Southwestern Medical Center, University of Alabama in Huntsville, Marshall Space Flight Center, NASA, Howard University

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• Discovering materials using machine learning

  ORAL

  Oct. 21, 2016, 4:00 PM – Oct. 21, 2016, 4:12 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, 4:12 PM – Oct. 21, 2016, 4:24 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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