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, 8:00 AM – March 20, 2025, 8:36 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• Abstract Withdrawn

  ORAL · Invited · Withdrawn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, 8:36 AM – March 20, 2025, 9:12 AM

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• Dynamics of ballistic photocurrents driven by Coulomb scattering

  ORAL

  March 20, 2025, 9:12 AM – March 20, 2025, 9:24 AM

  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, 9:24 AM – March 20, 2025, 9:36 AM

  Publication: Advancing Simulations of Coupled Electron and Phonon Nonequilibrium Dynamics Using Adaptive and Multirate Time Integration
  Jia Yao, Ivan Maliyov, David Gardner, Carol Woodward, Marco Bernardi
  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, 9:36 AM – March 20, 2025, 9:48 AM

  Publication: Theoretical Description of Pump-Probe Experiments in Charge-Density-Wave Materials out to Long Times
  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, 9:48 AM – March 20, 2025, 10:00 AM

  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, 10:00 AM – March 20, 2025, 10:12 AM

  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, 10:12 AM – March 20, 2025, 10:24 AM

  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, 10:24 AM – March 20, 2025, 10:36 AM

  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, 10:36 AM – March 20, 2025, 10:48 AM

  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, 10:48 AM – March 20, 2025, 11:00 AM

  Publication: Andrea Urru, Ivo Souza, Oscar Pozo Ocaña, Stepan S. Tsirkin, and David Vanderbilt, Spatial-dispersive optical effects via
  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

  View abstract →