Electronic Structure Methods and Quantum Many-body Systems

ORAL · P18

Presentations

  • Low-Scaling MP2 for Solids

    ORAL

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    Presenters

    • Tobias Schaefer

      Faculty of Physics and Center for Computational Materials Science, University of Vienna

    Authors

    • Tobias Schaefer

      Faculty of Physics and Center for Computational Materials Science, University of Vienna

    • Georg Kresse

      Faculty of Physics and Center for Computational Materials Science, University of Vienna, Faculty of Physics, University of Vienna

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  • On the question of the total energy in FLO-SIC calculations

    ORAL

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    Presenters

    • Kushantha Withanage

      Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    Authors

    • Kushantha Withanage

      Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    • Kai Trepte

      Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    • Koblar Jackson

      Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    • Juan Peralta

      Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

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  • Accurate simulation of weakly-Bound Dipole Anions

    ORAL

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    Presenters

    • Can Ataca

      Department of Physics, Univ of Maryland-Baltimore County

    Authors

    • Can Ataca

      Department of Physics, Univ of Maryland-Baltimore County

    • Hongxia Hao

      Department of Chemistry, Brown University

    • Brenda Rubenstein

      Department of Chemistry, Brown University, Chemistry, Brown Univ

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  • Bayesian Calibration assisted by Markov Chain Monte Carlo sampling of parameter space of J and U values in DFT+U: Applications for Fe, Mn and Cu based compounds

    ORAL

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    Presenters

    • Pedram Tavadze

      Department of Physics and Astronomy, West Virginia Univ, Department of Physics and Astronomy, West Virginia University

    Authors

    • Pedram Tavadze

      Department of Physics and Astronomy, West Virginia Univ, Department of Physics and Astronomy, West Virginia University

    • Thomas Harris

      Department of Physics and Astronomy, West Virginia University

    • David Mebane

      Mechanical and Aerospace Engineering, West Virginia University

    • Aldo Romero

      West Virginia Univ, Department of Physics and Astronomy, West Virginia University, West Virginia University

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  • Relative Energies and Electronic Structure of CoO Polymorphs Through ab-Initio Diffusion Quantum Monte Carlo Method

    ORAL

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    Presenters

    • Kayahan Saritas

      Materials Science and Technology Division, Oak Ridge National Lab

    Authors

    • Kayahan Saritas

      Materials Science and Technology Division, Oak Ridge National Lab

    • Jaron Krogel

      Oak Ridge National Lab, Materials Science and Technology Division, Oak Ridge National Lab, Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge National Laboratory

    • Fernando Reboredo

      Oak Ridge National Lab, Materials Science and Technology Division, Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge National Lab

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  • Magnetic Moment of particles at finite temperature and density

    ORAL

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    Presenters

    • Samina Masood

      Univ of Houston - Clear Lake, Physics, Univ of Houston - Clear Lake, Physical and Applied Sciences, Univ of Houston - Clear Lake, Department of Physical and Applied Sciences, University of Houston - Clear Lake, University of Houston - Clear Lake

    Authors

    • Samina Masood

      Univ of Houston - Clear Lake, Physics, Univ of Houston - Clear Lake, Physical and Applied Sciences, Univ of Houston - Clear Lake, Department of Physical and Applied Sciences, University of Houston - Clear Lake, University of Houston - Clear Lake

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  • Strong-Coupling Model for Pulsed Light Propagation and Quantum Kinetics of Driven Electron-Hole Plasma in Quantum Wires

    ORAL

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    Presenters

    • Danhong Huang

      US Air Force Research Lab (AFRL/RVSWS), Space Vehicles Directorate, Air Force Research Lab, Space Vehicles Directorate, US Air Force Research Lab, US Air Force Research Laboratory

    Authors

    • Danhong Huang

      US Air Force Research Lab (AFRL/RVSWS), Space Vehicles Directorate, Air Force Research Lab, Space Vehicles Directorate, US Air Force Research Lab, US Air Force Research Laboratory

    • Jeremy Gulley

      Department of Physics, Kennesaw State University

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  • Magnetic Exchange Couplings from Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Approximations

    ORAL

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    Presenters

    • Rajendra Joshi

      Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy

    Authors

    • Rajendra Joshi

      Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy

    • Kushantha Withanage

      Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    • Kai Trepte

      Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    • Koblar Jackson

      Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    • Juan Peralta

      Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University

    View abstract →

  • Analytic Interatomic Forces in the Random Phase Approximation

    ORAL

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    Presenters

    • Benjamin Ramberger

      Faculty of Physics and Center for Computational Materials Science, University of Vienna

    Authors

    • Benjamin Ramberger

      Faculty of Physics and Center for Computational Materials Science, University of Vienna

    • Georg Kresse

      Faculty of Physics and Center for Computational Materials Science, University of Vienna, Faculty of Physics, University of Vienna

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  • Applying Distortion Symmetries to the Calculation of Minimum Energy Pathways in Ferroelectric Switching

    ORAL

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    Presenters

    • Jason Munro

      Materials Science and Engineering, The Pennsylvania State University

    Authors

    • Jason Munro

      Materials Science and Engineering, The Pennsylvania State University

    • Haricharan Padmanabhan

      Materials Science and Engineering, The Pennsylvania State University

    • Vincent Liu

      Materials Science and Engineering, The Pennsylvania State University

    • Long-Qing Chen

      MSE, Penn State University, Materials Science and Engineering, The Pennsylvania State University, Department of Materials Science & Engineering, The Pennsylvania State University

    • Brian VanLeeuwen

      Materials Science and Engineering, The Pennsylvania State University

    • H. Akamatsu

      Pennsylvania State University, Institute for Materials Chemistry and Engineering, Kyushu University

    • Venkatraman Gopalan

      Department of Materials Science and Engineering, Pennsylvania State Univ, Materials Science and Engineering, The Pennsylvania State University, Materials Science and Engineering, Pennsylvania State Univ, Materials Science and Engineering, Penn State University

    • Ismaila Dabo

      MATSE, Penn State University-University Park, Materials Science and Engineering, The Pennsylvania State University, Materials Science and Engineering, Pennsylvania State Univ

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  • Gaussian process based optimization of molecules and solids using noisy energy surfaces from Quantum Monte Carlo

    ORAL

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    Presenters

    • Paul Kent

      Oak Ridge National Lab, Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

    Authors

    • Paul Kent

      Oak Ridge National Lab, Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

    • Andreas Tillack

      Oak Ridge National Lab

    • Richard Archibald

      Oak Ridge National Lab

    View abstract →