most citedNATPS: Nonadiabatic Transition Path Sampling Using Time-Reversible MASH Dynamics

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physics.chem-ph2026

Nonadiabatic Forward-Flux Sampling of Rare Molecular Gas-Phase Ammonia Photodissociation

Madlen Maria Reiner, Johannes C. B. Dietschreit, Leticia González +1

Simulating rare events in photochemistry by brute-force surface hopping is computationally prohibitive: most propagated trajectories either remain nonreactive or follow dominant re…

physics.chem-ph2026

The Entropic Barrier around the Conical Intersection Seam

Johannes C. B. Dietschreit, Sebastian Mai, Leticia González

Conical intersections (CIs) are seen as the main mediators of nonadiabatic transitions; yet, mixed quantum-classical (MQC) simulations that treat nuclei as classical point particle…