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First-Principles Simulations of Excited-State Phenomena: Electron-Phonon Interactions I

FOCUS · D59 · ID: 1067926

Presentations

  • How Spin Relaxes in Bulk Halide Perovskites

    ORAL

    –

    Presenters

    • Kejun LI

      University of California, Santa Cruz

    Authors

    • Kejun LI

      University of California, Santa Cruz

    • Junqing Xu

      University of California, Santa Cruz

    • Uyen Huynh

      Univ of Cambridge

    • Jinsong Huang

      University of North Carolina at Chapel Hill

    • Valy Z Vardeny

      The University of Utah, University of Utah, University of Utah, Salt Lake City

    • Ravishankar Sundararaman

      Rensselaer Polytechnic Institute

    • Yuan Ping

      UC Santa Cruz, University of California, Santa Cruz

    View abstract →

  • Effect of phonon scattering on exciton transport in solid pentacene

    ORAL

    –

    Publication: Diana Y. Qiu, Galit Cohen, Dana Novichkova, and Sivan Refaely-Abramson, "Signatures of dimensionality and symmetry in exciton band structure: Consequences for exciton dynamics and transport," Nano Letters, vol. 21, no. 18, pp. 7644–7650, 2021.

    Presenters

    • Galit Cohen

      Weizmann Institute of Science

    Authors

    • Galit Cohen

      Weizmann Institute of Science

    • Diana Y Qiu

      Yale University

    • Sivan Refaely-Abramson

      Weizmann Institute of Science

    View abstract →

  • Phonon screening of excitons with the ab initio GW-Bethe-Salpeter equation approach and Wannier interpolation

    ORAL

    –

    Presenters

    • Antonios Alvertis

      Lawrence Berkeley National Laboratory

    Authors

    • Antonios Alvertis

      Lawrence Berkeley National Laboratory

    • Jonah B Haber

      University of California, Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory

    • Zhenglu Li

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

    • Steven G Louie

      University of California at Berkeley, University of California, Berkeley, University Of California, Berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley; Lawrence Berkeley National Lab, UC Berkeley, University of California at Berkeley, and Lawrence Berkeley National Laboratory, UC berkeley, Lawrence Berkeley National Laboratory, 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, LBNL & UC Berkeley

    • Marina R Filip

      University of Oxford

    • Jeffrey B Neaton

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

    View abstract →

  • Relations between T<sub>1</sub> and T<sub>2</sub> for spin systems with electron-phonon scattering

    ORAL

    –

    Presenters

    • Mani Chandra

      Rensselaer Polytechnic Institute

    Authors

    • Mani Chandra

      Rensselaer Polytechnic Institute

    • Junqing Xu

      University of California, Santa Cruz

    • Adela Habib

      Los Alamos National Laboratory

    • Christian Multunas

      Rensselaer Polytechnic Institute

    • Joshua Quinton

      Rensselaer Polytechnic Institute

    • Yuan Ping

      UC Santa Cruz, University of California, Santa Cruz

    • Ravishankar Sundararaman

      Rensselaer Polytechnic Institute

    View abstract →

  • Spin decoherence and dephasing in crystals from first principles

    ORAL

    –

    Presenters

    • Joshua S Quinton

      Rensselaer Polytechnic Institute

    Authors

    • Joshua S Quinton

      Rensselaer Polytechnic Institute

    • Mani Chandra

      Rensselaer Polytechnic Institute

    • Junqing Xu

      University of California, Santa Cruz

    • Yuan Ping

      UC Santa Cruz, University of California, Santa Cruz

    • Ravishankar Sundararaman

      Rensselaer Polytechnic Institute

    View abstract →

  • First-Principles Calculations of Polarons in Rutile and Anatase TiO<sub>2</sub>

    ORAL

    –

    Presenters

    • Zhenbang Dai

      The Oden Institute for Computational Engineering & Sciences

    Authors

    • Zhenbang Dai

      The Oden Institute for Computational Engineering & Sciences

    • Chao Lian

      University of Texas at Austin, The University of Texas at Austin

    • Jon Lafuente-Bartolome

      The University of Texas at Austin, University of Texas at Austin

    • Feliciano Giustino

      University of Texas, University of Texas at Austin, The University of Texas at Austin

    View abstract →

  • Ab initio many-body theory of polarons at all couplings

    ORAL

    –

    Publication: Phys. Rev. Lett. 129, 076402 (2022), Phys. Rev. B 106, 075119 (2022)

    Presenters

    • Jon Lafuente-Bartolome

      The University of Texas at Austin, University of Texas at Austin

    Authors

    • Jon Lafuente-Bartolome

      The University of Texas at Austin, University of Texas at Austin

    • Chao Lian

      University of Texas at Austin, The University of Texas at Austin

    • Weng Hong Sio

      University of Macau

    • Idoia G Gurtubay

      University of the Basque Country UPV/EHU

    • Asier Eiguren

      University of the Basque Country UPV/EHU

    • Feliciano Giustino

      University of Texas, University of Texas at Austin, The University of Texas at Austin

    View abstract →

  • Coherent Phonon Driven Carrier Pumping in Topological Materials

    ORAL

    –

    Presenters

    • Tao Jiang

      Ames National Laboratory, Ames Laboratory

    Authors

    • Tao Jiang

      Ames National Laboratory, Ames Laboratory

    • Peter P Orth

      Iowa State University, Ames National Laboratory

    • Lin-Lin Wang

      Ames National Laboratory, Ames Lab

    • Feng Zhang

      Ames National Laboratory

    • Cai-Zhuang Wang

      Ames Laboratory, Iowa State University, Ames National Laboratory

    • Kai-Ming Ho

      Iowa State University, Ames National Laboratory

    • Jigang Wang

      Ames National Laboratory

    • Yong-Xin Yao

      Ames National Laboratory

    View abstract →

  • Ab Initio Maximally-Localized Exciton Wannier Functions for Solids

    ORAL

    –

    Presenters

    • Jonah B Haber

      University of California, Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory

    Authors

    • Jonah B Haber

      University of California, Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory

    • Felipe H da Jornada

      Stanford University, Stanford

    • Diana Y Qiu

      Yale University

    • Jeffrey B Neaton

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

    View abstract →