Materials Modeling

Presentations

• Electron correlations in solids from the Dynamical Mean Field perspective and the origin of the anomalous state of matter in iron pnictides and chalchogenides

  COFFEE_KLATCH · Invited

  Oct. 24, 2015, 10:30 AM – Oct. 24, 2015, 10:42 AM

  Authors

  • Kristjan Haule

    • Rutgers Univ

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• Universality Classes of Weakly Anisotropic 2D Heisenberg Ferromagnets

  ORAL

  Oct. 24, 2015, 10:42 AM – Oct. 24, 2015, 10:54 AM

  Authors

  • Donald Priour

    • Youngstown State University

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• The Age of Exploration: Materials Discovery in the Virtual World

  ORAL

  Oct. 24, 2015, 10:54 AM – Oct. 24, 2015, 11:06 AM

  Authors

  • Karin Rabe

    • Rutgers, the State University of New Jersey

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• TBD

  Oct. 24, 2015, 11:06 AM – Oct. 24, 2015, 11:18 AM

  Authors

  • Avendaño-Franco

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• Relativistic single-site Green's function for full potential scattering

  ORAL

  Oct. 24, 2015, 11:18 AM – Oct. 24, 2015, 11:30 AM

  Authors

  • Xianglin Liu

    • Department of Physics, Carnegie Mellon University

  • Yang Wang

    • Pittsburgh Supercomputing Center, Carnegie Mellon University

  • Markus Eisenbach

    • Material Science and Technology Division, Oak Ridge National Lbaboratory

  • G.Malcolm Stocks

    • Material Science and Technology Division, Oak Ridge National Lbaboratory

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• The effects of Li concentration on the structure and mechanics in the Li-Mg binary system

  ORAL

  Oct. 24, 2015, 11:30 AM – Oct. 24, 2015, 11:42 AM

  Authors

  • Olivia Pavlic

    • West Virginia University

  • Irais Valencia-Jaime

    • Department of Physics and Astronomy, West Virgnia University, Morgantown WV 26506
    • CINVESTAV-Queretaro

  • Aldo Romero

    • West Virginia University
    • Department of Physics and Astronomy, West Virgnia University, Morgantown WV 26506
    • West Virginia University-Department of Physics and Astronomy
    • Department of Physics and Astronomy, West Virginia University, Morgantown, WV-26505-6315, USA

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• Fermi-orbitals for improved electronic structure calculations on biophysically relevant Molecules

  ORAL

  Oct. 24, 2015, 11:42 AM – Oct. 24, 2015, 11:54 AM

  Authors

  • Der-you Kao

    • Mechanical and Aerospace Engineering , The George Washington University

  • Mark R. Pederson

    • Department of Chemistry, Johns Hopkins University

  • James D. Lee

    • Mechanical and Aerospace Engineering , The George Washington University

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