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First-Principles Modeling of Excited-State Phenomena in Materials VI: Method Development

FOCUS · R22 · ID: 381686

Presentations

  • Substrate Screening Effect on Quasiparticle Energies and Optical Properties of Lattice-mismatched Two-dimensional Interfaces

    ORAL

    –

    Presenters

    • Chunhao Guo

      University of California, Santa Cruz

    Authors

    • Chunhao Guo

      University of California, Santa Cruz

    • Junqing Xu

      Chemistry and Biochemistry, University of California, Santa Cruz, University of California, Santa Cruz, Department of Chemistry and Biochemistry, University of California, Santa Cruz

    • Dario Rocca

      University of Lorraine

    • Yuan Ping

      University of California, Santa Cruz, Chemistry and Biochemistry, University of California, Santa Cruz, Department of Chemistry and Biochemistry, University of California, Santa Cruz

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  • Are multi-quasiparticle interactions important in molecular ionization?

    ORAL

    –

    Presenters

    • Carlos Mejuto Zaera

      University of California, Berkeley, Lawrence Berkeley National Laboratory

    Authors

    • Carlos Mejuto Zaera

      University of California, Berkeley, Lawrence Berkeley National Laboratory

    • Guorong Weng

      University of California, Santa Barbara

    • Mariya Romanova

      University of California, Santa Barbara

    • Stephen J. Cotton

      NASA Ames, NASA Ames Research Center, Quantum Artificial Intelligence Laboratory (QuAIL), KBR; NASA Ames Research Center

    • Birgitta K Whaley

      University of California, Berkeley, Chemistry, University of California, Berkeley

    • Norm Tubman

      NASA Ames Research Center, NASA Ames, Quantum Artificial Intelligence Laboratory (QuAIL), NASA Ames Research Center

    • Vojtech Vlcek

      University of California, Santa Barbara

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  • Random Phase Approximation for gapped systems: the role of vertex corrections and applicability of the constrained random phase approximation

    ORAL

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    Presenters

    • Erik van Loon

      University of Bremen

    Authors

    • Erik van Loon

      University of Bremen

    • Malte Roesner

      Institute for Molecules and Materials, Radboud University, Nijmegen, Netherlands, Radboud University, Radboud University, Nijmegen

    • Mikhail I. Katsnelson

      Institute for Molecules and Materials, Radboud University, Nijmegen, Netherlands, Radboud University, Nijmegen, Institute for Molecules and Materials, Radboud University, Heijendaalseweg 135, 6525 AJ Nijmegen, The Netherlands

    • Tim Wehling

      University of Bremen

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  • Higher order many-body perturbation theory applied to atomic systems

    ORAL

    –

    Presenters

    • Simone Vacondio

      University of Modena & Reggio Emilia

    Authors

    • Simone Vacondio

      University of Modena & Reggio Emilia

    • Daniele Varsano

      Istituto Nanoscienze, Modena, Italy, CNR, CNR nano Modena, Italy, CNR - Istituto Nanoscienze, Modena, Italy, S3 Modena, CNR-NANO, Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze, Consiglio Nazionale delle Ricerche (CNR)

    • Alice Ruini

      University of Modena & Reggio Emilia, Italy, University of Modena & Reggio Emilia

    • Andrea Ferretti

      Centro S3, CNR–Istituto Nanoscienze, CNR nano Modena, Italy, S3 Modena, CNR-NANO, Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze, Consiglio Nazionale delle Ricerche (CNR)

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  • Direct Optimization of Quasi-2D Atomic Structures with Diffusion Monte Carlo

    ORAL

    –

    Presenters

    • Jaron Krogel

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

    Authors

    • Jaron Krogel

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

    • Juha Tiihonen

      Oak Ridge National Lab

    • Hyeondeok Shin

      Argonne National Lab, Argonne National Laboratory

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  • Optimally-Tuned Range-Separated Hybrid Functional Starting Points for One-Shot GW Calculations

    ORAL

    –

    Presenters

    • Stephen E Gant

      Physics, University of California, Berkeley, Department of Physics, University of California Berkeley

    Authors

    • Stephen E Gant

      Physics, University of California, Berkeley, Department of Physics, University of California Berkeley

    • Jonah Haber

      Physics, University of California at Berkeley, Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, Department of Physics, University of California Berkeley, University of California Berkeley

    • Dahvyd Wing

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

    • Guy Ohad

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

    • Leeor Kronik

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

    • Marina Filip

      Physics, University of Oxford, Department of Physics, University of Oxford

    • Jeffrey Neaton

      Lawrence Berkeley National Laboratory, Physics, University of California at Berkeley, Physics, University of California, Berkeley, University of California, Berkeley; Lawrence Berkeley National Lab; Kavli Energy NanoScience Institute at Berkeley, Department of Physics, University of California Berkeley, University of California, Berkeley, Physics, University of California, Berkeley, and Materials Sciences Division, Lawrence Berkeley National Laboratory, Molecular Foundry, Lawrence Berkeley National Laboratory, University of California Berkeley

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  • Subspace Embedding and Downfolding Techniques for Solving the Bethe Salpeter Equation: Interplay of Localized and Continuum Excitons in Complex Systems

    Invited

    –

    Presenters

    • Diana Qiu

      Yale University, Department of Mechanical Engineering and Materials Science, Yale University, Mechanical Engineering and Materials Science, Yale University, School of Engineering and Applied Physics, Yale University

    Authors

    • Diana Qiu

      Yale University, Department of Mechanical Engineering and Materials Science, Yale University, Mechanical Engineering and Materials Science, Yale University, School of Engineering and Applied Physics, Yale University

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  • Group representations of exciton states and their derivation from first principles

    ORAL

    –

    Presenters

    • Jiawei Ruan

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

    Authors

    • Jiawei Ruan

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

    • Zhenglu Li

      Department of Physics, University of California, Berkeley, UC Berkeley & Lawrence Berkeley National Laboratory, University of California at Berkeley, and Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory, University of California, Berkeley, Lawrence Berkeley National Laboratory and University of California at Berkeley, Department of physics, University of California at Berkeley, Berkeley, California

    • Chin Shen Ong

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Department of physics, University of California at Berkeley, Berkeley, California

    • Steven G Louie

      University of California, Berkeley, Department of Physics, University of California, Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC Berkeley & Lawrence Berkeley National Laboratory, University of California at Berkeley, and Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory, Department of physics, University of California at Berkeley, Berkeley, California

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