Publications of J. Mannouch

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)