Publications of J. Mannouch
All genres
Journal Article (6)
2025
Journal Article
, , and J. Mannouch, Nonadiabatic Dynamics with the Mapping Approach to Surface Hopping (MASH), Annual Review of Physical Chemistry 76 (1), 663–687 (2025).
2024
Journal Article
J. Mannouch and A. Kelly, Toward a Correct Description of Initial Electronic Coherence in Nonadiabatic Dynamics Simulations, The Journal of Physical Chemistry Letters 15 (46), 11687–11695 (2024).
Journal Article
, J. Mannouch, and , A size-consistent multi-state mapping approach to surface hopping, The Journal of Chemical Physics 160 (24), 244112 (2024).
Journal Article
J. Mannouch and A. Kelly, 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), 5814–5823 (2024).
Journal Article
, , J. Mannouch, , , A. Kelly, and , A MASH simulation of the photoexcited dynamics of cyclobutanone, The Journal of Chemical Physics 160 (17), 174306 (2024).
Journal Article
, J. Mannouch, and , 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), 707–716 (2024).