Theory for Non-Equilibrium Quantum Physics of Materials: I

Presentations

• Molecular junctions far from equilibrium: Insights from real-time TDDFT

  ORAL · Invited

  March 20, 2025, 11:00 AM – March 20, 2025, 11:36 AM

  Presenters

  • E.K.U. Gross

    Hebrew University of Jerusalem

  Authors

  • E.K.U. Gross

    Hebrew University of Jerusalem

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• Abstract Withdrawn

  ORAL · Invited · Withdrawn

  March 20, 2025, 11:36 AM – March 20, 2025, 12:12 PM

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• Dynamics of ballistic photocurrents driven by Coulomb scattering

  ORAL

  March 20, 2025, 12:12 PM – March 20, 2025, 12:24 PM

  Publication: Tan et al., arXiv:2408.06320 (2024)

  Presenters

  • Liang Z Tan

    Lawrence Berkeley National Laboratory

  Authors

  • Liang Z Tan

    Lawrence Berkeley National Laboratory

  • Sangeeta Rajpurohit

    Lawrence Berkeley National Laboratory

  • Xavier Andrade

    Lawrence Livermore National Laboratory

  • Alfredo A Correa

    Lawrence Livermore Natl Lab

  • Tadashi Ogitsu

    Lawrence Livermore National Laboratory

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• Ultrafast phonon dynamics by solving the real-time Boltzmann equation with adaptive and multirate time integration

  ORAL

  March 20, 2025, 12:24 PM – March 20, 2025, 12:36 PM

  Publication: Advancing Simulations of Coupled Electron and Phonon Nonequilibrium Dynamics Using Adaptive and Multirate Time Integration<br>Jia Yao, Ivan Maliyov, David Gardner, Carol Woodward, Marco Bernardi<br>Submitted

  Presenters

  • Jia Yao

    Caltech

  Authors

  • Jia Yao

    Caltech

  • Ivan Maliyov

    EPFL, CNRS, Aix-Marseille Universite, Caltech

  • David J Gardner

    Lawrence Livermore National Laboratory

  • Carol S Woodward

    Lawrence Livermore National Laboratory

  • Marco Bernardi

    Caltech

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• Simulating pump-probe experiments in electron-phonon coupled materials out to picosecond time scales: Creating a perfect conductor by driving a phonon to the unstable maximum of a double-well potential

  ORAL

  March 20, 2025, 12:36 PM – March 20, 2025, 12:48 PM

  Publication: Theoretical Description of Pump-Probe Experiments in Charge-Density-Wave Materials out to Long Times<br>Marko D. Petrović, Manuel Weber, and James K. Freericks, Phys. Rev. X 14, 031052 (2024)

  Presenters

  • James Freericks

    Georgetown University

  Authors

  • James Freericks

    Georgetown University

  • Manuel Weber

    TU Dresden

  • Marko D Petrovic

    Georgetown University

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• Calculating time-resolved A_1g electronic Raman scattering via a functional-derivative approach

  ORAL

  March 20, 2025, 12:48 PM – March 20, 2025, 1:00 PM

  Publication: [1]. O. P. Matveev, A. M. Shvaika, T. P. Devereaux, J. K. Freericks, Phys. Rev. Lett. 122, 247402 (2019).

  Presenters

  • Oleh Matvyeyev

    Georgetown University

  Authors

  • Oleh Matvyeyev

    Georgetown University

  • Andrij Shvaika

    Institute for Condensed Matter Physics

  • James Freericks

    Georgetown University

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• Oral: Objective non-adiabatic quantum dynamics

  ORAL

  March 20, 2025, 1:00 PM – March 20, 2025, 1:12 PM

  Presenters

  • Shivam Sharma

    University of Minnesota

  Authors

  • Shivam Sharma

    University of Minnesota

  • Richard D James

    University of Minnesota, Twin Cities, University of Minnesota

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• Toward accurate and efficient nonequilibrium quantum dynamics of lattice models

  ORAL

  March 20, 2025, 1:12 PM – March 20, 2025, 1:24 PM

  Presenters

  • Srijan Bhattacharyya

    University of Colorado Boulder

  Authors

  • Srijan Bhattacharyya

    University of Colorado Boulder

  • Thomas Sayer

    University of Colorado Boulder

  • Andres Montoya-Castillo

    University of Colorado, Boulder

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• Sensitivity of anomalous Barkas effect of antiprotons stopping in LiF

  ORAL

  March 20, 2025, 1:24 PM – March 20, 2025, 1:36 PM

  Publication: G. Massillon-JL, A. A. Correa, X. Andrade & E. Artacho, "Anomalies in the electronic stopping of slow antiprotons in LiF" (submitted 2024).

  Presenters

  • Emilio Artacho

    CIC Nanogune

  Authors

  • Guerda Massillon-JL

    Instituto de Física, Universidad Nacional Autónoma de Mexico

  • Alfredo A Correa

    Lawrence Livermore Natl Lab

  • Xavier Andrade

    Lawrence Livermore National Laboratory

  • Emilio Artacho

    CIC Nanogune

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• First-Principles Modeling of Photoexcitation Dynamics in Low-Dimensional Perovskites and Double Perovskite Systems

  ORAL

  March 20, 2025, 1:36 PM – March 20, 2025, 1:48 PM

  Presenters

  • Dhara J Trivedi

    Clarkson University

  Authors

  • Dhara J Trivedi

    Clarkson University

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• Natural optical activity in solids from Wannier interpolation

  ORAL

  March 20, 2025, 1:48 PM – March 20, 2025, 2:00 PM

  Publication: Andrea Urru, Ivo Souza, Oscar Pozo Ocaña, Stepan S. Tsirkin, and David Vanderbilt, Spatial-dispersive optical effects via<br>Wannier interpolation, in preparation.

  Presenters

  • Andrea Urru

    Rutgers University

  Authors

  • Andrea Urru

    Rutgers University

  • Ivo Souza

    Universidad del Pais Vasco, University del Pais Vasco

  • Oscar Pozo Ocaña

    Universidad del Pais Vasco

  • Stepan S Tsirkin

    Universidad del Pais Vasco

  • David Vanderbilt

    Rutgers University

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