Time-dependent and Time-independent Approaches (B)

FOCUS · E32

Presentations

  • Towards the calculation of multidimensional vibrational spectra

    Invited

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    Presenters

    • Kenneth Ruud

      Hylleraas Centre for Quantum Molecular Sciences, University of Tromso, Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway

    Authors

    • Kenneth Ruud

      Hylleraas Centre for Quantum Molecular Sciences, University of Tromso, Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway

    View abstract →

  • UV Photodissociation Dynamics of Bromoform Studied by Ultrafast Inner-Shell Transient Absorption Spectroscopy

    ORAL

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    Presenters

    • Han Wang

      Rensselaer Polytechnic Institute, Chemical Sciences Division, Lawrence Berkeley National Laboratory

    Authors

    • Han Wang

      Rensselaer Polytechnic Institute, Chemical Sciences Division, Lawrence Berkeley National Laboratory

    • Benjamin W Toulson

      LBNL, Chemical Sciences Division, Lawrence Berkeley National Laboratory

    • Mario Borgwardt

      LBNL, Chemical Sciences Division, Lawrence Berkeley National Laboratory

    • Oliver Gessner

      LBNL, Chemical Sciences Division, Lawrence Berkeley National Laboratory

    • David Prendergast

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

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  • Probing Ultrafast Dissociation Dynamics of Pentafluorobenzene Cation (C<sub>6</sub>F<sub>5</sub>H<sup>+</sup>) with Electrons

    ORAL

    –

    Presenters

    • Ming-Fu Lin

      SLAC, SLAC National Accelerator Laboratory

    Authors

    • Ming-Fu Lin

      SLAC, SLAC National Accelerator Laboratory

    • Xiaozhe Shen

      SLAC National Accelerator Laboratory

    • Pedro Nunes

      Department of Physics and Astronomy, UNIVERSITY OF NEBRASKA–LINCOLN

    • Jie Yang

      SLAC National Accelerator Laboratory

    • Renkai Li

      SLAC National Accelerator Laboratory

    • Stephen Weathersby

      SLAC National Accelerator Laboratory

    • Rob Parrish

      Department of Chemistry, Stanford University

    • Todd Martinez

      Department of Chemistry, Stanford University

    • Martin Centurion

      Department of Physics and Astronomy, UNIVERSITY OF NEBRASKA–LINCOLN

    • Thomas Jacob Arcangelo Wolf

      SLAC National Accelerator Laboratory

    • Xijie Wang

      SLAC National Accelerator Laboratory, SLAC

    • Michael Minitti

      SLAC National Accelerator Laboratory

    View abstract →

  • Modeling Molecular Spectra with Interpretable Atomistic Neural Networks

    ORAL

    –

    Presenters

    • Michael Gastegger

      Technical University of Berlin

    Authors

    • Michael Gastegger

      Technical University of Berlin

    • Kristof T Schütt

      Technical University of Berlin

    • Huziel Sauceda

      Theory Department, Fritz Haber Institute of the MPG, Theory Department, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Technical University of Berlin

    • Klaus-Robert Müller

      Machine Learning Group, Technische Universität Berlin, Technical University of Berlin, Machine Learning/Intelligent Data Analysis, Technische Universität Berlin

    • Alexandre Tkatchenko

      University of Luxembourg, FSTC, University of Luxembourg, Physics and Materials Science Research Unit, University of Luxembourg, Physics and Materials Science Reasearch Unit, University of Luxembourg, Physics and Materials Science Research Unit, Université du Luxembourg

    View abstract →