First-Principles Simulations of Excited-State Phenomena: Electron-phonon Interactions II

Presentations

• The interaction of electrons and excitons with phonons in solids: Results from model problems and ab initio calculations.

  ORAL · Invited

  March 7, 2023, 3:00 PM – March 7, 2023, 3:36 PM

  Publication: None

  Presenters

  • David Reichman

    • Columbia Univ

  Authors

  • David Reichman

    • Columbia Univ

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• Ultrafast phenomena in diamond and silicon in the presence of crystal defects

  ORAL

  March 7, 2023, 3:36 PM – March 7, 2023, 3:48 PM

  Presenters

  • Tobias Zier

    • University of California, Merced

  Authors

  • Tobias Zier

    • University of California, Merced

  • Marie Kempkes

    • Future Digital Platform / Digital Architecture Concepts (K-AERD/A)

  • David A Strubbe

    • University of California, Merced

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• Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond

  ORAL

  March 7, 2023, 3:48 PM – March 7, 2023, 4:00 PM

  Publication: [1] Y. Jin, M. Govoni, and G. Galli, arXiv:2208.04504 (2022).

  Presenters

  • Yu Jin

    • University of Chicago

  Authors

  • Yu Jin

    • University of Chicago

  • Marco Govoni

    • Argonne National Laboratory

  • Giulia Galli

    • University of Chicago
    • University of Chicago, Argonne National Laboratory
    • Pritzker School of Molecular Engineering and Department of Chemistry, University of Chicago, IL, USA; Materials Science Division, Argonne National Laboratory, IL, USA
    • Argonne National Laboratory and University of Chicago

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• Ab-initio theory of spin-phonon relaxation for paramagnetic defects in semiconductors

  ORAL

  March 7, 2023, 4:00 PM – March 7, 2023, 4:12 PM

  Publication: [3] Cambria, M. C., Norambuena, A., Dinani, H. T., Thiering, G., Gardill, A., Kemeny, I., ... & Kolkowitz, S. (2022). Temperature-dependent phonon-induced relaxation of the nitrogen-vacancy spin triplet in diamond. arXiv preprint arXiv:2209.14446.

  Presenters

  • Gergo Thiering

    • Wigner Research Centre

  Authors

  • Matthew C Cambria

    • University of Wisconsin - Madison

  • Ariel Norambuena

    • Universidad Mayor

  • Yanfei Li

    • University of Wisconsin - Madison

  • Hossein Dinani

    • Universidad Mayor
    • Universidad Mayor Chile

  • Gergo Thiering

    • Wigner Research Centre

  • Aedan Robert H Gardill

    • University of Wisconsin - Madison

  • Ishita Kemeny

    • University of Wisconsin - Madison

  • Vincenzo Lordi

    • Lawrence Livermore Natl Lab

  • Adam Gali

    • Wigner Research Centre for Physics
    • Wigner Research Centre

  • Jeronimo R Maze

    • Pontificia Universidad Catolica de Chile
    • Pontificia Universidad Católica de Chile

  • Shimon Kolkowitz

    • Wisconsin
    • University of Wisconsin - Madison

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• Unified first-principles description of direct and phonon-assisted optical absorption

  ORAL

  March 7, 2023, 4:12 PM – March 7, 2023, 4:24 PM

  Presenters

  • Sabyasachi Tiwari

    • The University of Texas at Austin

  Authors

  • Sabyasachi Tiwari

    • The University of Texas at Austin

  • Emmanouil Kioupakis

    • University of Michigan

  • Feliciano Giustino

    • University of Texas
    • University of Texas at Austin
    • The University of Texas at Austin

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• First-principles calculations of charge carrier mobility in semiconductors including charged impurity scattering

  ORAL

  March 7, 2023, 4:24 PM – March 7, 2023, 4:36 PM

  Presenters

  • Joshua A Leveillee

    • University of Texas at Austin

  Authors

  • Joshua A Leveillee

    • University of Texas at Austin

  • Xiao Zhang

    • Univeristy of Michigan
    • University of Michigan

  • Emmanouil Kioupakis

    • University of Michigan

  • Feliciano Giustino

    • University of Texas
    • University of Texas at Austin
    • The University of Texas at Austin

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• Ab initio study of polarons in the alkali halides

  ORAL

  March 7, 2023, 4:36 PM – March 7, 2023, 4:48 PM

  Presenters

  • Chao Lian

    • University of Texas at Austin
    • The University of Texas at Austin

  Authors

  • 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

  • Weng Hong Sio

    • University of Macau

  • Feliciano Giustino

    • University of Texas
    • University of Texas at Austin
    • The University of Texas at Austin

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• Data-driven solution of the real-time Boltzmann transport equation: speeding up and finding patterns in first-principles calculations of nonequilibrium dynamics

  ORAL

  March 7, 2023, 4:48 PM – March 7, 2023, 5:00 PM

  Presenters

  • Ivan Maliyov

    • Caltech

  Authors

  • Ivan Maliyov

    • Caltech

  • Jia Yin

    • Lawrence Berkeley National Laboratory

  • Chao Yang

    • Lawrence Berkeley National Laboratory

  • Marco Bernardi

    • Caltech
    • California Institute of Technology

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• Toward First Principles Magnon-Phonon Interactions

  ORAL

  March 7, 2023, 5:00 PM – March 7, 2023, 5:12 PM

  Presenters

  • Khoa Le

    • California Institute of Technology

  Authors

  • Khoa Le

    • California Institute of Technology

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• Simulating electronic excitation induced proton transfer in heterogeneous environments

  ORAL

  March 7, 2023, 5:12 PM – March 7, 2023, 5:24 PM

  Presenters

  • Jianhang Xu

    • University of North Carolina at Chapel Hill

  Authors

  • Jianhang Xu

    • University of North Carolina at Chapel Hill

  • Ruiyi Zhou

    • UNC Chapel Hill

  • Christopher Malbon

    • Yale University

  • Tao E Li

    • Yale University

  • Volker Blum

    • Duke University

  • Sharon Hammes-Schiffer

    • Yale University

  • Yosuke Kanai

    • University of North Carolina at Chapel H

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• Ultrafast charge dynamics and optical response in bilayer WSe₂: impact of excitons and electron-phonon interaction

  ORAL

  March 7, 2023, 5:24 PM – March 7, 2023, 5:36 PM

  Presenters

  • Jia Shi

    • University of Science and Technology Beijing
    • University of Central Florida

  Authors

  • Jia Shi

    • University of Science and Technology Beijing
    • University of Central Florida

  • Volodymyr Turkowski

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

  • Talat S Rahman

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

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