NATPS applies time-reversible MASH dynamics within the transition path sampling framework to efficiently generate ensembles of nonadiabatic reactive trajectories on a model system of coupled potential energy surfaces.
Bolhuis.Transition Path Sampling and other Advanced Simulation Techniques for Rare Events, pages 167–233
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NATPS: Nonadiabatic Transition Path Sampling Using Time-Reversible MASH Dynamics
NATPS applies time-reversible MASH dynamics within the transition path sampling framework to efficiently generate ensembles of nonadiabatic reactive trajectories on a model system of coupled potential energy surfaces.