First-principles Modeling of Excited-State Phenomena in Materials I: Method Development

FOCUS · A29

Presentations

  • Advancing accurate and scalable electronic structure formalisms for light-harvesting materials

    Invited

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    Presenters

    • Volker Blum

      Duke University, Department of Mechanical Engineering and Materials Science, Duke University, Mechanical Engineering and Materials Science and Chemistry, Duke University

    Authors

    • Volker Blum

      Duke University, Department of Mechanical Engineering and Materials Science, Duke University, Mechanical Engineering and Materials Science and Chemistry, Duke University

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  • Improved Method for Efficient Large-scale GW Calculations for 2D Systems

    ORAL

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    Presenters

    • Weiyi Xia

      State Univ of NY - Buffalo, State Univ of New York at Buffalo

    Authors

    • Weiyi Xia

      State Univ of NY - Buffalo, State Univ of New York at Buffalo

    • Yabei Wu

      Department of Physics, Shanghai University, Shanghai University, State Univ of New York at Buffalo

    • Weiwei Gao

      The University of Texas at Austin

    • Peihong Zhang

      Physics, State University of New York, State Univ of NY - Buffalo, State Univ of New York at Buffalo

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  • <i>Ab initio</i> Green's-Function Approach for 3- and 4-Particle Correlated Excitations: Trions and Biexcitons

    ORAL

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    Presenters

    • Felipe da Jornada

      Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Physics, Univ of California - Berkeley, UC Berkeley and Lawrence Berkeley National Lab

    Authors

    • Felipe da Jornada

      Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Physics, Univ of California - Berkeley, UC Berkeley and Lawrence Berkeley National Lab

    • Andrea Cepellotti

      University of California at Berkeley and Lawrence Berkeley National Laboratory, UC Berkeley and Lawrence Berkeley National Lab

    • Steven Louie

      Physics, University of California, Berkeley, University of California, Berkeley, Physics, Univ of California - Berkeley, Univ of California - Berkeley, Physics, UC Berkeley, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Physics Department, University of California Berkeley and Lawrence Berkeley National Lab, Department of physics, University of California - Berkeley, Lawrence Berkeley National Lab and University of California - Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory & Department of Physics, University of California at Berkeley, UC Berkeley and Lawrence Berkeley National Lab, Physics, University of California - Berkeley

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  • A Finite Field Algorithm for GW Calculations Beyond the Random Phase Approximation

    ORAL

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    Presenters

    • He Ma

      Chemistry Department, University of Chicago, Institute for Molecular Engineering, University of Chicago, Department of Chemistry and Institute for Molecular Engineering, University of Chicago

    Authors

    • He Ma

      Chemistry Department, University of Chicago, Institute for Molecular Engineering, University of Chicago, Department of Chemistry and Institute for Molecular Engineering, University of Chicago

    • Marco Govoni

      Materials Science Division, Argonne National Laboratory, Institute for Molecular Engineering and Materials Science Division, Argonne National Lab, Argonne National Laboratory; University of Chicago, Insitute for Molecular Engineering and Materials Science Division, Argonne National Lab, Materials Science Division , Argonne National Laboratory, Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago

    • Giulia Galli

      Institute for Molecular Engineering, University of Chicago, Univ of Chicago, University of Chicago, Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago, Chicago, IL, United States and Materials Science Division, Argonne National Laboratory, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, Univ of Chicago

    • Francois Gygi

      Department of Computer Science, University of California Davis, University of California, Davis, Univ of California - Davis

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  • Imaginary time, shredded propagator method for large-scale GW calculations

    ORAL

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    Presenters

    • Minjung Kim

      Yale Univ

    Authors

    • Minjung Kim

      Yale Univ

    • Subhasish Mandal

      Yale Univ, Dept. of Applied Physics, Center for Research on Interface Structures and Phenomena, Yale University

    • Eric Mikida

      UIUC

    • Kavitha Chandrasekar

      UIUC

    • Eric Bohm

      UIUC

    • Nikhil Jain

      Lawrence Livermore National Laboratory

    • Qi Li

      IBM T. J. Watson Research Center

    • Laxmikant Kale

      UIUC

    • Glenn Martyna

      IBM T. J. Watson Research Center

    • Sohrab Ismail-Beigi

      Yale Univ, Dept. of Applied Physics, Center for Research on Interface Structures and Phenomena, Yale University, Department of Applied Physics, Yale University, Applied Physics, Yale University

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  • Large Scale Bethe-Salpeter Equation Calculations

    ORAL

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    Presenters

    • Ngoc Linh Nguyen

      Institute for Molecular Engineering, University of Chicago

    Authors

    • Ngoc Linh Nguyen

      Institute for Molecular Engineering, University of Chicago

    • He Ma

      Chemistry Department, University of Chicago, Institute for Molecular Engineering, University of Chicago, Department of Chemistry and Institute for Molecular Engineering, University of Chicago

    • Marco Govoni

      Materials Science Division, Argonne National Laboratory, Institute for Molecular Engineering and Materials Science Division, Argonne National Lab, Argonne National Laboratory; University of Chicago, Insitute for Molecular Engineering and Materials Science Division, Argonne National Lab, Materials Science Division , Argonne National Laboratory, Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago

    • Francois Gygi

      Department of Computer Science, University of California Davis, University of California, Davis, Univ of California - Davis

    • Giulia Galli

      Institute for Molecular Engineering, University of Chicago, Univ of Chicago, University of Chicago, Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago, Chicago, IL, United States and Materials Science Division, Argonne National Laboratory, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, Univ of Chicago

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  • Approximate spectral decomposition of density-density response functions

    ORAL

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    Presenters

    • Han Yang

      Department of Chemistry, University of Chicago

    Authors

    • Han Yang

      Department of Chemistry, University of Chicago

    • Marco Govoni

      Materials Science Division, Argonne National Laboratory, Institute for Molecular Engineering and Materials Science Division, Argonne National Lab, Argonne National Laboratory; University of Chicago, Insitute for Molecular Engineering and Materials Science Division, Argonne National Lab, Materials Science Division , Argonne National Laboratory, Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago

    • Giulia Galli

      Institute for Molecular Engineering, University of Chicago, Univ of Chicago, University of Chicago, Institute for Molecular Engineering, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, University of Chicago, Chicago, IL, United States and Materials Science Division, Argonne National Laboratory, University of Chicago; Argonne National Laboratory, Institute for Molecular Engineering, Univ of Chicago

    View abstract →