Excitations in Complex Systems: Recent Progress in the Ab Initio and Many-Body Theory Communities

Presentations

• Challenging electronic excitations calculated by converging on saddle points of the electronic energy surface

  ORAL · Invited

  March 7, 2024, 12:30 PM – March 7, 2024, 1:06 PM

  Publication: Schmerwitz, Y. L. A.; Levi, G.; Jónsson, H. J. Chem. Theory Comput. 19, 3634 (2023)
  Levi, G., Ivanov, A. V. & Jónsson, H. J. Chem. Theory Comput. 16, 6968 (2020)
  Ivanov, A. V.; Schmerwitz, Y. L. A.; Levi, G.; Jónsson, H. SciPost Phys. 15, 1-21 (2023)
  Katayama, T. et al. Chem. Sci. 14, 2572 (2023)

  Presenters

  • Gianluca Levi

    Science Institute, University of Iceland

  Authors

  • Gianluca Levi

    Science Institute, University of Iceland

  • Hannes Jonsson

    Univ of Iceland

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• Non-perturbative dynamics with TDDFT: How to make best use of the adiabatic approximation - and go beyond

  ORAL · Invited

  March 7, 2024, 1:06 PM – March 7, 2024, 1:42 PM

  Presenters

  • Neepa T Maitra

    Rutgers University - Newark

  Authors

  • Neepa T Maitra

    Rutgers University - Newark

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• Tackling the interplay between competing interactions in complex materials

  ORAL · Invited

  March 7, 2024, 1:42 PM – March 7, 2024, 2:18 PM

  Publication: [1] W. Aggoune, A. Eljarrat, D. Nabok, K. Irmscher, M. Zupancic, Z. Galazka, M. Albrecht, C. T. Koch, and C. Draxl, Commun. Mater. 3, 12 (2022).
  [2] C. Vona, S, Lubeck, H. Kleine, A. Gulans, and C. Draxl, https://arxiv.org/abs/2306.02965.
  [3] I. Gonzalez Oliva, B. Maurer, B. Alex, S. Tillack, M. Schebek, and C. Draxl, phys. stat. sol. (a) 2300170 (2023).
  [4] B. Maurer and C. Draxl, in preparation.
  [5] A. Stroth, S. Rigamonti, C. Draxl, in preparation.
  [6] M. Yang, and C. Draxl, https://arxiv.org/abs/2212.13645.

  Presenters

  • Claudia Draxl

    Humboldt Universität zu Berlin

  Authors

  • Claudia Draxl

    Humboldt Universität zu Berlin

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• Capturing exciton interactions, dephasing, and Floquet-like physics from first principles

  ORAL · Invited

  March 7, 2024, 2:18 PM – March 7, 2024, 2:54 PM

  Publication: Chan et al, Nano Letters 23, 3971 (2023).
  Karni et al, Nature 603, 247 (2022).
  Chan et al, PNAS 118, e1906938118 (2021).
  Chan et al, PNAS 120, e2301957120 (2023).
  Altman, Kundu, Jornada, submitted (2023).
  O'Beirne et al, to be submitted (2023).

  Presenters

  • Felipe H da Jornada

    Stanford University

  Authors

  • Felipe H da Jornada

    Stanford University

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• Towards a practical transcorrelated quantum chemistry for ground and excited states.Ali Alavi

  ORAL · Invited

  March 7, 2024, 2:54 PM – March 7, 2024, 3:30 PM

  Presenters

  • Ali Alavi

    MPI, Stuttgart, Germany and Cambridge University, UK

  Authors

  • Ali Alavi

    MPI, Stuttgart, Germany and Cambridge University, UK

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