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Assigning Structures to Spectra Using Density Functional Theory: Method and Applications IV

FOCUS · R25 · ID: 381719

Presentations

  • DFT error origins in open-shell d- and f-electron compounds revealed from SCAN’s performance: self-interaction error, strong correlation, or both?

    Invited

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    Presenters

    • Jianwei Sun

      Tulane Univ, Physics, Tulane U., Tulane, Department of Physics and Engineering Physics, Tulane University, Physics and Engineering Physics, Tulane University, Tulane University, Tulane U.

    Authors

    • Jianwei Sun

      Tulane Univ, Physics, Tulane U., Tulane, Department of Physics and Engineering Physics, Tulane University, Physics and Engineering Physics, Tulane University, Tulane University, Tulane U.

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  • The Application of Topological Quantum Chemistry in Electrides

    ORAL

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    Presenters

    • Yuting Qian

      Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Sciences,Institute of Physics

    Authors

    • Si-Min Nie

      Stanford Univ, Institute of Physics, Chinese Academy of Sciences, Stanford University

    • Yuting Qian

      Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Sciences,Institute of Physics

    • Jiacheng Gao

      Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Sciences,Institute of Physics

    • Zhong Fang

      Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Sciences,Institute of Physics

    • Hongming Weng

      Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Sciences,Institute of Physics

    • Zhijun Wang

      Princeton University, Department of Physics, Chinese Academy of Sciences, Institute of Physics, Institute of Physics, Chinese Academy of Sciences, Chinese Academy of Sciences,Institute of Physics

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  • Accurate lattice dynamics of cuprates from first principles

    ORAL

    –

    Presenters

    • Jinliang Ning

      Department of Physics and Engineering Physics, Tulane University

    Authors

    • Jinliang Ning

      Department of Physics and Engineering Physics, Tulane University

    • Christopher Lane

      LANL, Theoretical Division, Los Alamos National Laboratory, Theoretical Division/Center for Integrated Nanotechnology, Los Alamos National Laboratory, Los Alamos National Laboratory

    • Matthew Matzelle

      Department of Physics, Northeastern University, Northeastern University

    • Bahadur Singh

      Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Department of Condensed Matter Physics and Material Science, Tata Institute of Fundamental Research, Tata Institute of Fundamental Research, Tata Institute for Fundamental Research, DCMPMS, Tata Institute of Fundamental Research, India, Condensed Matter Physics and Material Science, Tata Institute of Fundamental Research, Department of Condensed Matter Physics & Materials Science, Tata Institute of Fundamental Research

    • Bernardo Barbiellini

      LUT University, Department of Physics, Lappeenranta University of Technology, Lappeenranta University of Technology, LUT U

    • Robert Markiewicz

      Department of Physics, Northeastern University, Northeastern University

    • Arun Kumar Bansil

      Department of Physics, Northeastern University, Northeastern University, Northeastern U

    • Jianwei Sun

      Tulane Univ, Physics, Tulane U., Tulane, Department of Physics and Engineering Physics, Tulane University, Physics and Engineering Physics, Tulane University, Tulane University, Tulane U.

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  • Probing configuration of single atom catalysts via CO adsorption: Pt/CeO<sub>2</sub>(111)

    ORAL

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    Presenters

    • Dave Austin

      Department of Physics, University of Central Florida

    Authors

    • Dave Austin

      Department of Physics, University of Central Florida

    • Duy Le

      Physics, University of Central Florida, University of Central Florida, Department of Physics, University of Central Florida, physics, University of Central Florida

    • Sampyo Hong

      Department of Physics, University of Central Florida

    • Talat Rahman

      Physics, University of Central Florida, University of Central Florida, Department of Physics, University of Central Florida

    View abstract →