Electronic Structure of Quantum Systems II

Presentations

• Room-Temperature Magnetoresistance in Single-Molecule Devices

  Invited

  March 6, 2019, 11:15 AM – March 6, 2019, 11:51 AM

  Presenters

  • Eliseo Ruiz

    • Universitat de Barcelona

  Authors

  • Eliseo Ruiz

    • Universitat de Barcelona

  • Ismael Díez-Pérez

    • King's College London

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• Problems in the treatment of transition metal magnetism with the SCAN meta-GGA functional

  ORAL

  March 6, 2019, 11:51 AM – March 6, 2019, 12:03 PM

  Presenters

  • David Singh

    • University of Missouri
    • Physics, University of Missouri
    • University of Missouri-Columbia
    • University of missouri
    • Department of Physics and Astronomy, University of Missouri

  Authors

  • David Singh

    • University of Missouri
    • Physics, University of Missouri
    • University of Missouri-Columbia
    • University of missouri
    • Department of Physics and Astronomy, University of Missouri

  • Yuhao Fu

    • University of Missouri
    • Physics, University of Missouri

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• The calculation of accurate core electron binding energy shifts and absolute core electron binding energies using the SCAN exchange-correlation functional

  ORAL

  March 6, 2019, 12:03 PM – March 6, 2019, 12:15 PM

  Presenters

  • Juhan Matthias Kahk

    • Department of Materials, Imperial College London

  Authors

  • Juhan Matthias Kahk

    • Department of Materials, Imperial College London

  • Johannes Lischner

    • Imperial College London
    • Department of Materials and Department of Physics, Imperial College London

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• A new generation of effective core potentials from correlated calculations: 3rd row main group

  ORAL

  March 6, 2019, 12:15 PM – March 6, 2019, 12:27 PM

  Presenters

  • Guangming Wang

    • North Carolina State University

  Authors

  • Guangming Wang

    • North Carolina State University

  • Abdulgani Annaberdiyev

    • North Carolina State University

  • Cody Melton

    • North Carolina State University
    • Department of Physics, North Carolina State University

  • Michael Bennett

    • North Carolina State University
    • Department of Physics, North Carolina State University

  • Lubos Mitas

    • North Carolina State University
    • Department of Physics, North Carolina State University

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• Schrödinger-Pauli Theory of Electrons: New Perspectives

  ORAL

  March 6, 2019, 12:27 PM – March 6, 2019, 12:39 PM

  Presenters

  • Viraht Sahni

    • Brooklyn College and The Graduate Center, CUNY

  Authors

  • Viraht Sahni

    • Brooklyn College and The Graduate Center, CUNY

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• Local embedding/downfolding auxiliary-field quantum Monte Carlo (AFQMC)

  ORAL

  March 6, 2019, 12:39 PM – March 6, 2019, 12:51 PM

  Presenters

  • Brandon Eskridge

    • Department of Physics, William & Mary

  Authors

  • Brandon Eskridge

    • Department of Physics, William & Mary

  • Henry Krakauer

    • Department of Physics, William & Mary

  • Shiwei Zhang

    • CCQ, Flatiron Institute, Simons Foundation
    • Department of Physics, William & Mary
    • Department of Physics, College of William and Mary
    • Physics, College of William and Mary

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• Benchmark studies for adsorption bond energies to transition metal surfaces

  ORAL

  March 6, 2019, 12:51 PM – March 6, 2019, 1:03 PM

  Presenters

  • Manish Kothakonda

    • Tulane University

  Authors

  • Manish Kothakonda

    • Tulane University

  • Jinliang Ning

    • Tulane University
    • Department of Physics and Engineering Physics, Tulane University

  • Yubo Zhang

    • Tulane University
    • Department of Physics and Engineering Physics, Tulane University

  • James Furness

    • Tulane
    • Tulane University
    • Department of Physics and Engineering Physics, Tulane University

  • Jianwei Sun

    • Tulane University
    • Department of Physics and Engineering Physics, Tulane University

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• An exchange-correlation functional capturing bulk, surface, and confinement physics

  ORAL

  March 6, 2019, 1:03 PM – March 6, 2019, 1:15 PM

  Presenters

  • Attila Cangi

    • Sandia National Laboratories

  Authors

  • Attila Cangi

    • Sandia National Laboratories

  • Francisca Sagredo

    • Chemistry, University of California, Irvine

  • Ann E Mattsson

    • Los Alamos National Laboratory

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• A first- principles study of insulating La₂CuO₄and its transition to the metallic state with Sr-doping

  ORAL

  March 6, 2019, 1:15 PM – March 6, 2019, 1:27 PM

  Presenters

  • Kanun Pokharel

    • Tulane University

  Authors

  • Kanun Pokharel

    • Tulane University

  • James Furness

    • Tulane
    • Tulane University
    • Department of Physics and Engineering Physics, Tulane University

  • Christopher Lane

    • Northeastern
    • Northeastern University

  • Ruiqi Zhang

    • Tulane University

  • Bernardo Barbiellini

    • Physics, Lappeenranta University of Technology
    • Lappeenranta University of Technology
    • Department of Physics, School of Engineering Science, Lappeenranta University of Technology
    • Physics, School of Engineering Science, Lappeenranta University of Technology, Lappeenranta, Finland

  • Yubo Zhang

    • Tulane
    • Tulane University

  • Arun Bansil

    • Department of Physics, Northeastern University
    • Northeastern
    • Physics, Northeastern University, Boston, Massachusetts 02115, USA
    • Northeastern University
    • Northeastern University, Boston (MA), USA
    • Physics, Northeastern U.
    • Department of Physics, Northwestern University
    • Physics, Northeastern University, Boston, MA, USA

  • Jianwei Sun

    • Tulane
    • Tulane University

  • Robert Markiewicz

    • Northeastern University

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• The Wilson basis applied to electronic structure

  ORAL

  March 6, 2019, 1:27 PM – March 6, 2019, 1:39 PM

  Presenters

  • James Brown

    • Department of Physics and Astronomy, Dartmouth College
    • Dartmouth College

  Authors

  • James Brown

    • Department of Physics and Astronomy, Dartmouth College
    • Dartmouth College

  • James Whitfield

    • Department of Physics and Astronomy, Dartmouth College
    • Dartmouth College

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