First-Principles Modeling of Excited-State Phenomena in Materials IV: TDDFT and Dynamics

Presentations

• Electron and ion dynamics in materials after particle radiation and optical excitation

  Invited

  March 17, 2021, 8:00 AM – March 17, 2021, 8:36 AM

  Presenters

  • Andre Schleife

    • Department of Material Science and Engineering and Coordinated Science Laboratory, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

  Authors

  • Andre Schleife

    • Department of Material Science and Engineering and Coordinated Science Laboratory, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

  View abstract →

• Dielectrically screened hybrid functionals for optical spectra in solids: an alternative to the Bethe-Salpeter equation

  ORAL

  March 17, 2021, 8:36 AM – March 17, 2021, 8:48 AM

  Presenters

  • Carsten Ullrich

    • University of Missouri
    • Physics, University of Missouri

  Authors

  • Jiuyu Sun

    • University of Missouri
    • Physics, University of Missouri

  • Carsten Ullrich

    • University of Missouri
    • Physics, University of Missouri

  View abstract →

• Hot Electron Enhanced Ion Diffusion in MgO under Ultra-short, Intense Laser Pulses

  ORAL

  March 17, 2021, 8:48 AM – March 17, 2021, 9:00 AM

  Presenters

  • Yifan Yao

    • University of Illinois at Urbana-Champaign

  Authors

  • Yifan Yao

    • University of Illinois at Urbana-Champaign

  • Andre Schleife

    • Department of Material Science and Engineering and Coordinated Science Laboratory, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

  View abstract →

• Channel-dependent anomalous low-velocity stopping power in proton-irradiated graphene

  ORAL

  March 17, 2021, 9:00 AM – March 17, 2021, 9:12 AM

  Presenters

  • Andre Schleife

    • Department of Material Science and Engineering and Coordinated Science Laboratory, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

  Authors

  • Alina Kononov

    • Sandia National Laboratories
    • University of Illinois at Urbana-Champaign

  • Andre Schleife

    • Department of Material Science and Engineering and Coordinated Science Laboratory, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

  View abstract →

• Real-time description of excitons with time-dependent density-functional theory

  ORAL

  March 17, 2021, 9:12 AM – March 17, 2021, 9:24 AM

  Presenters

  • Jiuyu Sun

    • University of Missouri
    • Physics, University of Missouri

  Authors

  • Jiuyu Sun

    • University of Missouri
    • Physics, University of Missouri

  • Cheng-Wei Lee

    • Colorado School of Mines

  • Alina Kononov

    • Sandia National Laboratories
    • University of Illinois at Urbana-Champaign

  • Andre Schleife

    • Department of Material Science and Engineering and Coordinated Science Laboratory, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign

  • Carsten Ullrich

    • University of Missouri
    • Physics, University of Missouri

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• Real-time dynamics of electrons in solids under high applied electric fields

  ORAL

  March 17, 2021, 9:24 AM – March 17, 2021, 9:36 AM

  Presenters

  • Ivan Maliyov

    • Caltech

  Authors

  • Ivan Maliyov

    • Caltech

  • Marco Bernardi

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

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• Exciton dynamics in carbon nanotubes from many-body perturbation theory.

  ORAL

  March 17, 2021, 9:36 AM – March 17, 2021, 9:48 AM

  Presenters

  • Dana Novichkova

    • Materials and Interfaces, Weizmann Institute of Science

  Authors

  • Dana Novichkova

    • Materials and Interfaces, Weizmann Institute of Science

  • Diana Qiu

    • Yale University
    • Department of Mechanical Engineering and Materials Science, Yale University
    • Mechanical Engineering and Materials Science, Yale University
    • School of Engineering and Applied Physics, Yale University

  • Galit Cohen

    • Materials and Interfaces, Weizmann Institute of Science

  • Sivan Refaely-Abramson

    • Weizmann Institute of Science
    • Materials and Interfaces, Weizmann Institute of Science
    • Department of Materials and Interfaces, Weizmann Institute of Science

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• Many-body effects in the dynamic charge response of silver chloride

  ORAL

  March 17, 2021, 9:48 AM – March 17, 2021, 10:00 AM

  Presenters

  • Arnaud Lorin

    • CNRS

  Authors

  • Arnaud Lorin

    • CNRS

  • Lucia Reining

    • Ecole Polytechnique, Palaiseau
    • CNRS
    • Ecole Polytechnique

  • Francesco Sottile

    • LSI, Ecole Polytechnique,CNRS, CEA, Institut Polytechnique de Paris, Palaiseau, France
    • Ecole Polytechnique

  • Matteo Gatti

    • CNRS
    • Ecole Polytechnique

  View abstract →

• Nonadiabatic Excited-State Dynamics in Perylene Diimides

  ORAL

  March 17, 2021, 10:00 AM – March 17, 2021, 10:12 AM

  Presenters

  • Aliya Mukazhanova

    • Boston University

  Authors

  • Aliya Mukazhanova

    • Boston University

  • Walter Malone

    • Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory

  • Hassiel Negrin-Yuvero

    • Universidad Nacional de Quilmes

  • Sebastian Fernandez-Alberti

    • Universidad Nacional de Quilmes

  • Sergei Tretiak

    • Los Alamos National Laboratory
    • Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory
    • CINT, Los Alamos National Lab

  • Sahar Sharifzadeh

    • Department of Electrical and Computer Engineering, Boston University
    • Boston University

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• Electronic stopping processes of ion projectiles: A tight-binding Floquet scattering formalism

  ORAL

  March 17, 2021, 10:12 AM – March 17, 2021, 10:24 AM

  Presenters

  • Marjan Famili

    • Univ of Cambridge

  Authors

  • Marjan Famili

    • Univ of Cambridge

  • Nicolo' Forcellini

    • Univ of Cambridge

  • Emilio Artacho

    • Univ of Cambridge
    • Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge, United Kingdom
    • CIC Nanogune

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• Hot-carrier generation in plasmonic nanoparticles at the atomic scale

  ORAL

  March 17, 2021, 10:24 AM – March 17, 2021, 10:36 AM

  Presenters

  • Tuomas Rossi

    • Aalto University

  Authors

  • Tuomas Rossi

    • Aalto University

  • Paul Erhart

    • Chalmers University of Technology
    • Chalmers Univ of Tech

  • Mikael Kuisma

    • University of Jyväskylä

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• Anisotropic response to optical excitations in a metal/insulator heterostructure

  ORAL

  March 17, 2021, 10:36 AM – March 17, 2021, 10:48 AM

  Presenters

  • Markus Gruner

    • Faculty of Physics, University of Duisburg-Essen
    • University of Duisburg-Essen

  Authors

  • Markus Gruner

    • Faculty of Physics, University of Duisburg-Essen
    • University of Duisburg-Essen

  • Elaheh Shomali

    • Faculty of Physics, University of Duisburg-Essen

  • Rossitza Pentcheva

    • University of Duisburg-Essen
    • Department of Physics and Center for Nanointegration (CENIDE), University of Duisburg-Essen, 47057 Duisburg, Germany
    • Faculty of Physics, University of Duisburg-Essen

  View abstract →