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physics.comp-ph2026
Correlation-Free Transition Path Sampling through Shooting Point Generation Guided by Committor Learning
Maximilian Negedly, Sebastian Falkner, Alessandro Coretti +1
Studying the dynamical behavior of a system often depends on characterizing how it transitions between long-lived states. Because such transitions are rare, observing them usually…
physics.comp-ph2026
An Always-Accepting Algorithm for Transition Path Sampling
Magdalena Häupl, Sebastian Falkner, Peter G. Bolhuis +2
We present a one-way shooting algorithm for transition path sampling that accepts every proposed trajectory, yet samples the correct transition path ensemble for systems with overd…