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.
Transition path sampling: throwing ropes over mountains in the dark.Journal of Physics: Condensed Matter, 12(8A):A147–A152, February 2000
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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.