Transition Events in Butane Simulations: Similarities Across Models

Abstract

From a variety of long simulations of all-atom butane using both stochastic and fully-solved molecular dynamics, we have uncovered striking generic behavior which also occurs in one-dimensional systems. We find an apparently universal distribution of transition event durations, as well as a characteristic speed profile along the reaction coordinate. An approximate analytic distribution of event durations, derived from a one-dimensional model, correctly predicts the asymptotic behavior of the universal distribution for both short and long durations.

18 pages, 6 figures

Cited by in corpus (4)

• Transition-Event Durations in One Dimensional Activated Processes
• Efficient Stochastic Simulation of Chemical Kinetics Networks using a Weighted Ensemble of Trajectories
• Transition times in the low-noise limit of stochastic dynamics
• Experimental measurement of relative path probabilities and stochastic actions