Nonadiabatic Chemical Dynamics I: Theory and Experiment
FOCUS · MAR-F72 · ID: MAR-F72
Presentations
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Bridging the divide between ultrafast spectroscopy and photothermal materials
Invited-In-person · Invited
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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
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Vasilios Stavros
- University of Birmingham
Authors
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Vasilios Stavros
- University of Birmingham
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From CISS to TRANS: A Molecular Analog of Chiral-Induced Spin Selectivity
Oral-In-person
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Presenters
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Nathanael Kidwell
- William & Mary
Authors
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Nathanael Kidwell
- William & Mary
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Revisiting the ring-opening mechanisms of oxirane using time-dependent GW molecular dynamics
Oral-In-person
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Presenters
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Aaditya Manjanath
- National Institute for Materials Science
Authors
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Aaditya Manjanath
- National Institute for Materials Science
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Ryoji Sahara
- National Institute for Materials Science
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Kaoru Ohno
- Yokohama National University, National Institute for Materials Science
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Yoshiyuki Kawazoe
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On the importance of initial conditions in nonadiabatic molecular dynamics
Invited-In-person · Invited
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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.4c02549Presenters
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Basile Curchod
- University of Bristol
Authors
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Basile Curchod
- University of Bristol
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Mixed quantum-classical dynamics for near term quantum computers
Oral-In-person · Withdrawn
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Publication: https://www.nature.com/articles/s42005-023-01451-2#Ack1
Presenters
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Daniel Bultrini
- University of Heidelberg
Authors
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Daniel Bultrini
- University of Heidelberg
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Oriol Vendrell Romagosa
- University of Heidelberg
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Disentangling proton-transfer and fragmentation dynamics of ionized water dimer in energy and time
Invited-In-person · Invited
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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 prepearationPresenters
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Jochen Küpper
- CFEL, DESY & UHH
Authors
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Jochen Küpper
- CFEL, DESY & UHH
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Charge transfer with a spin: A framework for diabatization which localizes charge and spin
Oral-In-person
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Presenters
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Alok Kumar
- Princeton University
Authors
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Alok Kumar
- Princeton University
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Zhen Tao
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Zuxin Jin
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Joseph Subotnik
- Princeton University
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Tian Qiu
- University of Pennsylvania
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Beyond Decay Times: Probing Nonadiabatic Molecular Dynamics
Oral-In-person
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Publication: J. Chem. Phys. 163, 024314 (2025)
Presenters
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Spiridoula Matsika
- Temple University
Authors
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Spiridoula Matsika
- Temple University
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Dakshitha Abeygunewardane
- Temple University
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Thomas Weinacht
- Stony Brook University (SUNY)
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Samuel McClung
- Stony Brook University (SUNY)
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