Publications

2025

Journal Article

Nonadiabatic Dynamics with the Mapping Approach to Surface Hopping (MASH)

J. O. Richardson, J. E. Lawrence, J. Mannouch

Annual Review of Physical Chemistry (2025)

2024

Journal Article

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

A size-consistent multi-state mapping approach to surface hopping

J. E. Lawrence, J. Mannouch, J. O. Richardson

The Journal of Chemical Physics 160 (24), 244112 (2024)

Journal Article

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

A MASH simulation of the photoexcited dynamics of cyclobutanone

J. E. Lawrence, I. M. Ansari, J. Mannouch, M. A. Manae, K. Asnaashari, A. Kelly, J. O. Richardson

The Journal of Chemical Physics 160 (17), 174306 (2024)

Journal Article

Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping

J. E. Lawrence, J. Mannouch, and J. O. Richardson

The Journal of Physical Chemistry Letters 15 (3), 707–716 (2024)

Publications of J. Mannouch