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First-Principles Simulations of Excited-State Phenomena: Out-of-Equilibrium Dynamics

FOCUS · M60 · ID: 1067936

Presentations

  • A first principles QEDFT perspective on light-driven non-equilibrium phenomena in quantum materials

    ORAL · Invited

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    Presenters

    • Angel Rubio

      Max Planck Institute for Structure and Dynamics of Matter, Max Planck Institute for the Structure &, Max Planck Institute for the Structure & Dynamics of Matter, Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany, Max Planck Institute for the Structure &Dynamics of Matter; Center for Computational Quantum Physics (CCQ), Flatiron Institute, 1. Max Planck Institute for the Structure and Dynamics of Matter 2. Center for Computational Quantum Physics (CCQ), Flatiron Institute, 162 Fifth Avenue, New York NY

    Authors

    • Angel Rubio

      Max Planck Institute for Structure and Dynamics of Matter, Max Planck Institute for the Structure &, Max Planck Institute for the Structure & Dynamics of Matter, Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany, Max Planck Institute for the Structure &Dynamics of Matter; Center for Computational Quantum Physics (CCQ), Flatiron Institute, 1. Max Planck Institute for the Structure and Dynamics of Matter 2. Center for Computational Quantum Physics (CCQ), Flatiron Institute, 162 Fifth Avenue, New York NY

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  • Many-body excitonic picture of ultrafast photoexcited dynamics in van der Waals heterostructures

    ORAL

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    Presenters

    • CHEN HU

      Lawrence Berkeley National Laboratory

    Authors

    • CHEN HU

      Lawrence Berkeley National Laboratory

    • Mit H Naik

      University of California, Berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley; Lawrence Berkeley National Lab

    • Yang-hao Chan

      Academia Sinica, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan, Institute of Atomic and Molecular Sciences, Academia Sinica, 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

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  • Full minimal coupling in the self-consistent Maxwell-TDDFT first principles framework

    ORAL

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    Presenters

    • Franco P Bonafe

      Max Planck Institute for the Structure & Dynamics of Matter

    Authors

    • Franco P Bonafe

      Max Planck Institute for the Structure & Dynamics of Matter

    • Heiko Appel

      Max Planck Institute for the Structure & Dynamics of Matter, Max Planck Institute for Structure and Dynamics of Matter, Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany

    • Angel Rubio

      Max Planck Institute for Structure and Dynamics of Matter, Max Planck Institute for the Structure &, Max Planck Institute for the Structure & Dynamics of Matter, Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany, Max Planck Institute for the Structure &Dynamics of Matter; Center for Computational Quantum Physics (CCQ), Flatiron Institute, 1. Max Planck Institute for the Structure and Dynamics of Matter 2. Center for Computational Quantum Physics (CCQ), Flatiron Institute, 162 Fifth Avenue, New York NY

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  • Modelling hot-carrier generation in metallic nanoparticles containing more than one million atoms

    ORAL

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    Publication: "Plasmon-Induced Hot Carriers from Interband and Intraband Transitions in<br>Large Noble Metal Nanoparticles", Hanwen Jin, Juhan Matthias Kahk, Dimitrios Papaconstantopoulos, Aires Ferreira and Johannes Lischner, PRX Energy 1, 013006 (2022)

    Presenters

    • Johannes C Lischner

      Imperial College London

    Authors

    • Johannes C Lischner

      Imperial College London

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  • Anisotropic carrier dynamics in a laser-excited Fe/(MgO)(001) heterostructure from real-time time-dependent DFT

    ORAL

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    Publication: [1] M. E. Gruner and R. Pentcheva, Phys. Rev. B 99, 195104 (2019)<br>[2] E. Shomali, M. E. Gruner and R. Pentcheva, Phys. Rev. B 105, 245103 (2022)<br>[3] E. Shomali, M. E. Gruner and R. Pentcheva, in preparation

    Presenters

    • Rossitza Pentcheva

      University of Duisburg-Essen

    Authors

    • Rossitza Pentcheva

      University of Duisburg-Essen

    • Elaheh Shomali

      University of Duisburg-Essen

    • Markus E Gruner

      University of Duisburg-Essen

    View abstract →