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Excited State III: electron-phonon coupling

FOCUS · M46 · ID: 47306

Presentations

  • Electron-Vibrational Coupling in and beyond The Phonon Picture: Concepts and Applications to Thermal and Electrical Conductivity

    ORAL · Invited

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    Publication: 1) F. Knoop, T.A.R. Purcell, M. Scheffler, and C. Carbogno, Anharmonicity Measure for Materials. Phys. Rev. Materials 4, 083809 (2020)<br>2) C. Carbogno, R. Ramprasad, and M. Scheffler, Ab initio Green-Kubo Approach for the Thermal Conductivity of Solids. Phys. Rev. Lett. 118, 175901 (2017)<br>3) R. Ouyang, S. Curtarolo, E. Ahmetcik, M. Scheffler, and L.M. Ghiringhelli, SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates . Phys. Rev. Mat. 2, 083802 (2018).<br>4) T.A.R. Purcell, M. Scheffler, L.M. Ghringhelli, and C. Carbogno, Accelerating Material-Space Exploration by Arti ficial Intelligence: The Case of the Lattice Thermal Conductivity, to be published

    Presenters

    • Matthias Scheffler

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Fritz-Haber Institute, The NOMAD Laboratory at the Fritz Haber Institute of the MPG

    Authors

    • Matthias Scheffler

      NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society, Fritz-Haber Institute, The NOMAD Laboratory at the Fritz Haber Institute of the MPG

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  • Time-dependent GW approach with finite-momentum electron and phonon couplings

    ORAL

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    Presenters

    • Zhenglu Li

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory; University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory

    Authors

    • Zhenglu Li

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory; University of California at Berkeley, University of California at Berkeley and Lawrence Berkeley National Laboratory

    • Yang-hao Chan

      Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory; University of California at Berkeley; Institute of Atomic and Molecular Sciences, Academia Sinica

    • Steven G Louie

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, University of California Berkeley, University of California, Berkeley, University of California at Berkeley; Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, UC Berkeley & Lawrence Berkeley National Laboratory

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  • Ab initio Green's function theory of polarons

    ORAL

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    Presenters

    • Jon Lafuente-Bartolome

      University of Texas at Austin

    Authors

    • Jon Lafuente-Bartolome

      University of Texas at Austin

    • Idoia G Gurtubay

      University of the Basque Country UPV/EHU

    • Asier Eiguren

      University of the Basque Country UPV/EHU

    • Feliciano Giustino

      University of Texas at Austin, University of Texas

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  • Phonon-assisted luminescence in qubits from many-body perturbation theory

    ORAL

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    Presenters

    • Francesco Libbi

      Ecole Polytechnique Federale de Lausanne

    Authors

    • Francesco Libbi

      Ecole Polytechnique Federale de Lausanne

    • Pedro M Melo

      Univ of Utrecht

    • Zeila Zanolli

      Forschungszentrum Jülich GmbH

    • Matthieu J Verstraete

      University of Liege

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne

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  • First-principles study of lattice and magnetic temperature effects on the optical properties of ferromagnetic BCC Fe

    ORAL

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    Presenters

    • Kisung Kang

      University of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champai

    Authors

    • Kisung Kang

      University of Illinois at Urbana-Champaign, University of Illinois at Urbana-Champai

    • Andre Schleife

      University of Illinois at Urbana-Champai, University of Illinois at Urbana-Champaign

    • David G Cahill

      University of Illinois at Urbana-Champaign, University of Illinois Urbana-Champaign

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  • Novel First-Principles Tools for Electron Dynamics in Quantum Materials and Devices

    ORAL

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    Presenters

    • Marco Bernardi

      Department of Applied Physics and Materials Science, California Institute of Technology, Caltech, Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA

    Authors

    • Marco Bernardi

      Department of Applied Physics and Materials Science, California Institute of Technology, Caltech, Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA

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  • Ab initio electron dynamics in high electric fields: accurate predictions of velocity-field curves

    ORAL

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    Publication: I. Maliyov, J. Park, M. Bernardi, Phys. Rev. B (Letter) 104, L100303, 2021, DOI: 10.1103/PhysRevB.104.L100303

    Presenters

    • Ivan Maliyov

      Caltech

    Authors

    • Ivan Maliyov

      Caltech

    • Jinsoo Park

      Department of Applied Physics and Materials Science, California Institute of Technology, Caltech

    • Marco Bernardi

      Department of Applied Physics and Materials Science, California Institute of Technology, Caltech, Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA

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  • Ultrafast dynamics of hot carriers in bulk semiconductors and in accumulation layer: energy transfer and screening effects.

    ORAL

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    Publication: 1. J. Sjakste et al, J. Phys: Cond. Mat. 30, 353001 (2018).<br>2 Tanimura, Kanasaki, Tanimura, Sjakste, Vast, Calandra, Mauri, Phys. Rev. B 93, 161203 (R) (2016).<br>3. Z. Chen, C. Giorgetti, J. Sjakste, et al. Phys. Rev. B 97, 241201(R) (2018).<br>4. Chen, Sjakste et al, PNAS 117, 21962-21967 (2020).

    Presenters

    • Jelena Sjakste

      Laboratoire des Solides Irradiés, CEA/DRF/IRAMIS, École Polytechnique, CNRS, Institut Polytechnique de Paris, 91120 Palaiseau, France, CNRS

    Authors

    • Jelena Sjakste

      Laboratoire des Solides Irradiés, CEA/DRF/IRAMIS, École Polytechnique, CNRS, Institut Polytechnique de Paris, 91120 Palaiseau, France, CNRS

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  • Towards mixed quantum-classical simulations of nonequilibrium phenomena in bulk and low-dimensional materials

    ORAL

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    Publication: A. Krotz, J. Provazza, & R. Tempelaar, J. Chem. Phys., 154, 224101 (2021)<br>A. Krotz & R. Tempelaar, Submitted to J. Chem. Phys. (2021)

    Presenters

    • Roel Tempelaar

      Northwestern University

    Authors

    • Roel Tempelaar

      Northwestern University

    • Alex Krotz

      Northwestern University

    • Justin Provazza

      Northwestern University

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  • First-principles calculations of electron-phonon interactions with GW corrections for localized defect states in monolayer WS<sub>2</sub> with a sulfur vacancy

    ORAL

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    Presenters

    • Jun-Ho Lee

      University of California, Berkeley; Lawrence Berkeley National Laboratory

    Authors

    • Jun-Ho Lee

      University of California, Berkeley; Lawrence Berkeley National Laboratory

    • Jonah B Haber

      University of California, Berkeley, University of California, Berkeley; Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

    • Jeffrey B Neaton

      Lawrence Berkeley National Laboratory, University of California, Berkeley; Lawrence Berkeley National Laboratory; Kavli Energy NanoSciences Institute at Berkeley, Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Kavli Energy Nano

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