Nonadiabatic Chemical Dynamics I: Theory and Experiment

Presentations

• Bridging the divide between ultrafast spectroscopy and photothermal materials

  ORAL · Invited

  March 17, 2026, 8:00 AM – March 17, 2026, 8:36 AM

  Publication: A perspective on femtosecond pump-probe spectroscopy in the development of future sunscreens.
  T.T. Abiola, A.L. Whittock and V.G. Stavros.
  J. Phys. Chem. A, 2022, 126, 2299.
  
  Molecular heaters: a green route to boosting crop yields?
  J.M. Woolley, N.d.N. Rodrigues, J.M. Toldo, B. Rioux, C. Groves, X. Schrama, J. Alarcan, T.T. Abiola, M.M. Mention, M. T. do Casal, S.E. Greenough, M. Borja, W.J. Buma, M.N.R. Ashfold, A. Braeuning, T. Munnik, K.A. Franklin, F. Allais, M. Barbatti and V.G. Stavros.
  Phys. Chem. Chem. Phys., 2025, 27, 7375
  

  Presenters

  • Vasilios Stavros

    • University of Birmingham

  Authors

  • Vasilios Stavros

    • University of Birmingham

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• From CISS to TRANS: A Molecular Analog of Chiral-Induced Spin Selectivity

  ORAL

  March 17, 2026, 8:36 AM – March 17, 2026, 8:48 AM

  Presenters

  • Nathanael M Kidwell

    • William & Mary

  Authors

  • Nathanael M Kidwell

    • William & Mary

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• Revisiting the ring-opening mechanisms of oxirane using time-dependent GW molecular dynamics

  ORAL

  March 17, 2026, 8:48 AM – March 17, 2026, 9:00 AM

  Presenters

  • Aaditya Manjanath

    • National Institute for Materials Science

  Authors

  • Aaditya Manjanath

    • National Institute for Materials Science

  • Ryoji Sahara

    • National Institute for Materials Science

  • Kaoru Ohno

    • Yokohama National University, National Institute for Materials Science

  • Yoshiyuki Kawazoe

    • Tohoku University

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• On the importance of initial conditions in nonadiabatic molecular dynamics

  ORAL · Invited

  March 17, 2026, 9:00 AM – March 17, 2026, 9:36 AM

  Publication: [1] J. Suchan, D. Hollas, B. F. E. Curchod, P. Slavíček, On the Importance of Initial Conditions for Excited-State Dynamics, Faraday Discuss., 212, 307 (2018). https://doi.org/10.1039/C8FD00088C
  [2] J. Janoš, P. Slavíček, B. F. E. Curchod, Selecting Initial Conditions for Trajectory-Based Nonadiabatic Simulations, Acc. Chem. Res., 58, 261 (2025).
  https://doi.org/10.1021/acs.accounts.4c00687
  [3] A. Prlj, D. Hollas, B. F. E. Curchod, Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables, J. Phys. Chem. A, 127, 7400 (2023). https://doi.org/10.1021/acs.jpca.3c02333
  [4] J. Janoš, P. Slavíček, B. F. E. Curchod, Including Photoexcitation Explicitly in Trajectory-Based Nonadiabatic Dynamics at No Cost, J. Phys. Chem. Lett., 15, 10614 (2024). https://doi.org/10.1021/acs.jpclett.4c02549

  Presenters

  • Basile Curchod

    • University of Bristol

  Authors

  • Basile Curchod

    • University of Bristol

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• Abstract Withdrawn

  ORAL · Withdrawn

  March 17, 2026, 9:36 AM – March 17, 2026, 9:48 AM

  View abstract →

• Disentangling proton-transfer and fragmentation dynamics of ionized water dimer in energy and time

  ORAL · Invited

  March 17, 2026, 9:48 AM – March 17, 2026, 10:24 AM

  Publication: I.S. Vinklárek, H. Bromberger, N. Vadassery, W. Jin, J. Küpper, and S. Trippel, J. Phys. Chem. A 128, 1593 (2024); arXiv:2308.08006 [physics]
  Ivo S. Vinklárek, M. Belina, L. Blum, H. Bromberger, S. Trippel, P. Slavíček, J.Küpper, in prepearation

  Presenters

  • Jochen Küpper

    • CFEL, DESY & UHH

  Authors

  • Jochen Küpper

    • CFEL, DESY & UHH

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• Charge transfer with a spin: A framework for diabatization which localizes charge and spin

  ORAL

  March 17, 2026, 10:24 AM – March 17, 2026, 10:36 AM

  Presenters

  • Alok Kumar

    • Princeton University; University of Pennsylvania

  Authors

  • Alok Kumar

    • Princeton University; University of Pennsylvania

  • Zhen Tao

    • University of Rhode Island
    • The University of Rhode Island
    • Princeton University

  • Zuxin Jin

    • University of Pennsylvania

  • Joseph E Subotnik

    • Princeton University

  • Tian Qiu

    • Princeton University

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• Beyond Decay Times: Probing Nonadiabatic Molecular Dynamics

  ORAL

  March 17, 2026, 10:36 AM – March 17, 2026, 10:48 AM

  Publication: J. Chem. Phys. 163, 024314 (2025)

  Presenters

  • Spiridoula C Matsika

    • Temple University

  Authors

  • Spiridoula C Matsika

    • Temple University

  • Dakshitha Abeygunewardane

    • Temple University

  • Thomas Weinacht

    • Stony Brook University (SUNY)

  • Samuel A McClung

    • Stony Brook University (SUNY)

  View abstract →