Publications of J. Mannouch

Cigrang, L. L. E.; Curchod, B. F. E.; Ingle, R. A.; Kelly, A.; Mannouch, J.; Accomasso, D.; Alijah, A.; Barbatti, M.; Chebbi, W.; lić, N. D. et al.; Eklund, E. C.; Fernandez-Alberti, S.; Freibert, A.; González, L.; Granucci, G.; Hernández, F. J.; Hernández-Rodríguez, J.; Jain, A.; Janoš, J.; Kassal, I.; Kirrander, A.; Lan, Z.; Larsson, H. R.; Lauvergnat, D.; Le Dé, B.; Lee, Y.; Maitra, N. T.; Min, S. K.; Peláez, D.; Picconi, D.; Qiu, Z.; Raucci, U.; Robertson, P.; Gil, E. S.; Sapunar, M.; Schürger, P.; Sinnott, P.; Tretiak, S.; Tikku, A.; Vindel-Zandbergen, P.; Worth, G. A.; Agostini, F.; Gómez, S.; Ibele, L. M.; Prlj, A.: Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics. The Journal of Physical Chemistry A (2025)

Richardson, J. O.; Lawrence, J. E.; Mannouch, J.: Nonadiabatic Dynamics with the Mapping Approach to Surface Hopping (MASH). Annual Review of Physical Chemistry 76 (1), pp. 663 - 687 (2025)

Mannouch, J.; Kelly, A.: Toward a Correct Description of Initial Electronic Coherence in Nonadiabatic Dynamics Simulations. The Journal of Physical Chemistry Letters 15 (46), pp. 11687 - 11695 (2024)

Lawrence, J. E.; Mannouch, J.; Richardson, J. O.: A size-consistent multi-state mapping approach to surface hopping. The Journal of Chemical Physics 160 (24), 244112 (2024)

Mannouch, J.; Kelly, A.: Quantum Quality with Classical Cost: Ab Initio Nonadiabatic Dynamics Simulations Using the Mapping Approach to Surface Hopping. The Journal of Physical Chemistry Letters 15 (22), pp. 5814 - 5823 (2024)

Lawrence, J. E.; Ansari, I. M.; Mannouch, J.; Manae, M. A.; Asnaashari, K.; Kelly, A.; Richardson, J. O.: A MASH simulation of the photoexcited dynamics of cyclobutanone. The Journal of Chemical Physics 160 (17), 174306 (2024)

Lawrence, J. E.; Mannouch, J.; Richardson, a. J. O.: Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping. The Journal of Physical Chemistry Letters 15 (3), pp. 707 - 716 (2024)