First-principles Modeling of Excited-state Phenomena in Materials VIII: Excited State Dynamics From First Principles

Presentations

• Getting to the core of valence excitations from first principles

  Invited

  March 6, 2019, 11:15 AM – March 6, 2019, 11:51 AM

  Presenters

  • David Prendergast

    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Laboratory

  Authors

  • David Prendergast

    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Laboratory

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• Ab Initio Simulation of Carrier Dynamics in Electric Fields in Bulk Semiconductors

  ORAL

  March 6, 2019, 11:51 AM – March 6, 2019, 12:03 PM

  Presenters

  • William McCorkindale

    • Cavendish Laboratory, University of Cambridge

  Authors

  • William McCorkindale

    • Cavendish Laboratory, University of Cambridge

  • Jin-Jian Zhou

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

  • Marco Bernardi

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

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• <i>Ab Initio</i> Radiative Lifetimes in Gallium Nitride

  ORAL

  March 6, 2019, 12:03 PM – March 6, 2019, 12:15 PM

  Presenters

  • Vatsal Jhalani

    • Applied Physics and Materials Science, Caltech

  Authors

  • Vatsal Jhalani

    • Applied Physics and Materials Science, Caltech

  • Hsiao-Yi Chen

    • Caltech
    • Department of Physics, Caltech
    • Physics, Caltech

  • Maurizia Palummo

    • Physics, University of Rome, Tor Vergata
    • Dept of Physics, University of Rome Tor Vergata

  • Marco Bernardi

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

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• First-Principles Study of Hot Electron Dynamics on Silicon Quantum Dot-Molecule System

  ORAL

  March 6, 2019, 12:15 PM – March 6, 2019, 12:27 PM

  Presenters

  • Jian Cheng Wong

    • University of North Carolina at Chapel Hill

  Authors

  • Jian Cheng Wong

    • University of North Carolina at Chapel Hill

  • Lesheng Li

    • Princeton University

  • Yosuke Kanai

    • University of North Carolina, Chapel Hill
    • University of North Carolina at Chapel Hill
    • Department of Chemistry, University of North Carolina at Chapel Hill

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• Rashba effect on spin-resolved carrier dynamics excited by circularly-polarized light from first-principles

  ORAL

  March 6, 2019, 12:27 PM – March 6, 2019, 12:39 PM

  Presenters

  • Sushant Kumar

    • Rensselaer Polytechnic Institute

  Authors

  • Sushant Kumar

    • Rensselaer Polytechnic Institute

  • Feng Wu

    • University of California, Santa Cruz
    • Department of Chemistry and Biochemistry, University of California Santa Cruz

  • Adela Habib

    • Rensselaer Polytechnic Institute

  • Yuan Ping

    • University of California, Santa Cruz
    • Department of Chemistry and Biochemistry, University of California Santa Cruz
    • Chemistry and Biochemistry, University of California, Santa Cruz

  • Ravishankar Sundararaman

    • Materials Science and Engineering, Rensselaer Polytechnic Institute
    • Rensselaer Polytechnic Institute
    • Department of Materials Science and Engineering, Rensselaer Polytechnic Institute

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• Spin-dependent electron transfer dynamics: key role of bandstructure

  ORAL

  March 6, 2019, 12:39 PM – March 6, 2019, 12:51 PM

  Presenters

  • Daniel Sanchez-Portal

    • Centro de Física de Materiales CSIC-UPV/EHU and DIPC

  Authors

  • Daniel Sanchez-Portal

    • Centro de Física de Materiales CSIC-UPV/EHU and DIPC

  • Moritz Müller

    • Centro de Física de Materiales CSIC-UPV/EHU and DIPC

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• Ultrafast Excited State Dynamics of Coupled Carriers and Phonons from Ab Initio Calculations

  ORAL

  March 6, 2019, 12:51 PM – March 6, 2019, 1:03 PM

  Presenters

  • Xiao Tong

    • Caltech

  Authors

  • Xiao Tong

    • Caltech

  • Jin-Jian Zhou

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

  • Marco Bernardi

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

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• Electron-defect interactions and low temperature carrier mobility from first principles

  ORAL

  March 6, 2019, 1:03 PM – March 6, 2019, 1:15 PM

  Presenters

  • I-Te Lu

    • Caltech

  Authors

  • I-Te Lu

    • Caltech

  • Jin-Jian Zhou

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

  • Marco Bernardi

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

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• Simulating Electron Beam – Materials Interactions with Real-Time Electron Dynamics

  ORAL

  March 6, 2019, 1:15 PM – March 6, 2019, 1:27 PM

  Presenters

  • Jacek Jakowski

    • Oak Ridge National Laboratory

  Authors

  • Jacek Jakowski

    • Oak Ridge National Laboratory

  • David Lingerfelt

    • Oak Ridge National Laboratory

  • Panchapakesan Ganesh

    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory

  • Bobby G Sumpter

    • Oak Ridge National Laboratory
    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
    • ORNL

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• Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

  ORAL

  March 6, 2019, 1:27 PM – March 6, 2019, 1:39 PM

  Presenters

  • Tammie Nelson

    • Los Alamos National Laboratory

  Authors

  • Tammie Nelson

    • Los Alamos National Laboratory

  • Dianelys Ondarse-Alvarez

    • Universidad Nacional de Quilmes

  • Nicolas Oldani

    • Universidad Nacional de Quilmes

  • Beatriz Hernandez

    • Universidad Nacional de Quilmes

  • Laura Alfonso-Hernandez

    • Universidad Nacional de Quilmes

  • Johan Galindo

    • Universidad Nacional de Colombia

  • Valeria D Kleiman

    • University of Florida

  • Sebastian Fernandez-Alberti

    • Universidad Nacional de Quilmes

  • Adrian E Roitberg

    • University of Florida

  • Sergei Tretiak

    • LANL
    • Los Alamos National Laboratory

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• Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry

  ORAL

  March 6, 2019, 1:39 PM – March 6, 2019, 1:51 PM

  Presenters

  • Christian Schäfer

    • Max-Planck Institute for the structure and dynamics of matter

  Authors

  • Christian Schäfer

    • Max-Planck Institute for the structure and dynamics of matter

  • Michael Ruggenthaler

    • Max Planck Institute for the Structure and Dynamics of Matter
    • Max-Planck Institute for the structure and dynamics of matter
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)

  • Heiko Appel

    • Max-Planck Institute for the structure and dynamics of matter
    • Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)
    • Max Planck Institute for the Structure and Dynamics of Matter

  • Angel Rubio

    • Max Planck Institute for the Structure and Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter and Center for Free-Electron Laser Science
    • Max-Planck Institute for the structure and dynamics of matter
    • Max Planck Inst Structure & Dynamics of Matter
    • Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany
    • Universidad del País Vasco UPV/EHU and Max Planck Institute for the Structure and Dynamics of Matter
    • Theory, Max Planck Institute for the Structure and Dynamics of Matter (MPSD)

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• Non-equilibrium dynamics of spin and charge correlation in strongly correlated systems from pump-probe spectroscopy

  ORAL

  March 6, 2019, 1:51 PM – March 6, 2019, 2:03 PM

  Presenters

  • Chen-Yen Lai

    • Los Alamos National Laboratory

  Authors

  • Chen-Yen Lai

    • Los Alamos National Laboratory

  • Jian-Xin Zhu

    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos National Laboratory
    • Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory
    • T4-PHYS OF CONDENSED MATTER & COMPLEX SYS, Los Alamos National Laboratory, Los aAlamos, USA
    • CINT, Los Alamos National Laboratory
    • Center for Integrated Nanotechnologies, Los Alamos National Laboratory
    • Los Alamos National Laboratory,

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• Ultrafast decay of low-symmetry photo-induced atomic forces.

  ORAL

  March 6, 2019, 2:03 PM – March 6, 2019, 2:15 PM

  Presenters

  • Shane O'Mahony

    • Materials Theory, Tyndall National Institute

  Authors

  • Shane O'Mahony

    • Materials Theory, Tyndall National Institute

  • Jose Querales-Flores

    • Tyndall National Institute
    • Materials Theory, Tyndall National Institute

  • Ivana Savic

    • Tyndall National Institute
    • Tyndall National Institute, Cork, Ireland
    • Materials Theory, Tyndall National Institute

  • Éamonn Murray

    • Imperial College London, UK
    • Department of Physics and Department of Materials, Imperial College London
    • Department of Materials and Department of Physics, Imperial College London

  • Felipe Murphy-Armando

    • Materials Theory, Tyndall National Institute

  • Stephen B Fahy

    • University College Cork
    • University College Cork, Ireland
    • Department of Physics, University College Cork
    • Department of Physics, University College Cork, Cork, Ireland
    • Materials Theory, Tyndall National Institute

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