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First-Principles Modeling of Excited-State Phenomena in Materials V: GW+BSE for Organic Materials

FOCUS · G39 · ID: 354752

Presentations

  • Solving the Bethe-Salpeter Equation on a Subspace: Approximations and Consequences for Band-Edge and Core-Level Excitons in Quasi Low-dimensional Materials

    ORAL

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    Presenters

    • Diana Qiu

      Department of Mechanical Engineering and Materials Science, Yale University, Physics, Unviersyt of Calfornia, Berkeley, Yale University, Mechanical Engineering and Materials Science, Yale University, University of California, Berkeley

    Authors

    • Diana Qiu

      Department of Mechanical Engineering and Materials Science, Yale University, Physics, Unviersyt of Calfornia, Berkeley, Yale University, Mechanical Engineering and Materials Science, Yale University, University of California, Berkeley

    • Felipe H. da Jornada

      Physics, Unviersyt of Calfornia, Berkeley, Materials Science, Stanford University, University of California, Berkeley

    • Steven Louie

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C, University of California, Berkeley, Department of Physics, University of California, Berkeley, Lawrence Berkeley National Laboratory and University of California at Berkeley, Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory, Department of Physics, UC Berkeley, Physics, Unviersyt of Calfornia, Berkeley, Physics, University of California, Berkeley, Physics, University of California, Berkeley and Lawrence Berkeley National Lab

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  • Analysis of Excitons in Stacked Perylene Diimide Derivatives

    ORAL

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    Presenters

    • Kasidet Jing Trerayapiwat

      Department of Chemistry, Boston University

    Authors

    • Kasidet Jing Trerayapiwat

      Department of Chemistry, Boston University

    • Aliya Mukazhanova

      Materials Science and Engineering, Boston University, Division of Materials Science and Engineering, Boston University

    • Sahar Sharifzadeh

      Boston University, Boston Univ, Department of Electrical and Computer Engineering, Boston University

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  • Probing energy transfer design principles in photosynthetic light harvesting systems with predictive electronic structure calculations

    ORAL

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    Presenters

    • Caroline McKeon

      University of California, Berkeley

    Authors

    • Caroline McKeon

      University of California, Berkeley

    • Samia M Hamed

      University of California, Berkeley

    • Chenchen Song

      Lawrence Berkeley National Laboratory

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory, Physics, UC Berkeley, Kavli Energy Nanoscience Institute at Berkeley, Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, University of California, Berkeley; Molecular Foundry, Lawrence Berkeley National Laboratory; Kavli Energy Nanosciences Institute at Berkeley, University of California, Berkeley, Lawrence Berkeley National Lab

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  • Exciton coherence times and diffusion constants in molecular crystals from exciton-phonon coupling with an ab initio GW-BSE approach

    ORAL

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    Presenters

    • Jonah Haber

      Physics, UC Berkeley, Physics, University of California, Berkeley

    Authors

    • Jonah Haber

      Physics, UC Berkeley, Physics, University of California, Berkeley

    • Felipe Da Jornada

      Materials Science and Engineering, Stanford University

    • Sivan Refaely-Abramson

      Department of Materials and Interfaces, Weizmann Institute of Science, Materials and Interfaces, Weizmann Institute of Science

    • Gabriel Antonius

      Hydrogen Research Institute, Université du Québec à Trois-Rivières, Département de Chimie, Biochimie et Physique, Université du Québec à Trois-Rivières, Trois-Rivières, Hydrogen Research Institute, Université du Québec à Trois-Riviéres

    • Steven Louie

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C, University of California, Berkeley, Department of Physics, University of California, Berkeley, Lawrence Berkeley National Laboratory and University of California at Berkeley, Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory, Department of Physics, UC Berkeley, Physics, Unviersyt of Calfornia, Berkeley, Physics, University of California, Berkeley, Physics, University of California, Berkeley and Lawrence Berkeley National Lab

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory, Physics, UC Berkeley, Kavli Energy Nanoscience Institute at Berkeley, Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, University of California, Berkeley; Molecular Foundry, Lawrence Berkeley National Laboratory; Kavli Energy Nanosciences Institute at Berkeley, University of California, Berkeley, Lawrence Berkeley National Lab

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  • Effects of dynamical lattice screening on excitonic and optical properties of polar compounds

    ORAL

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    Presenters

    • Joshua Leveillee

      University of Illinois at Urbana-Champaign

    Authors

    • Joshua Leveillee

      University of Illinois at Urbana-Champaign

    • Xiao Zhang

      University of Illinois at Urbana-Champaign

    • Andre Schleife

      University of Illinois Urbana-Champaign, Materials Science and Engineering, University of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champaign

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  • Structural and Electronic Properties of the NAI-DMAC Organic Emitting Diode: A Thermally Activated Delayed Fluorescence Compound

    ORAL

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    Presenters

    • Tommaso Francese

      University of Chicago

    Authors

    • Tommaso Francese

      University of Chicago

    • Francois Gygi

      University of California, Davis, University of California Davis, University of Chicago

    • Giulia Galli

      University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA, University of Chicago and Argonne National Laboratory, Pritzker School of Molecular Engineering, The University of Chicago

    View abstract →