Publikationen von J. Mannouch

Alle Typen

2024

Zeitschriftenartikel

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)

Zeitschriftenartikel

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)

Zeitschriftenartikel

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)

2024

Preprint

A Size-Consistent Multi-State Mapping Approach to Surface Hopping

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

(2024)