Non-Markovianity increases transition path probability
Chemical Physics
2025-01-09 v1 Statistical Mechanics
Biological Physics
Abstract
Defining low-dimensional reaction coordinates is crucial for analyzing the dynamics of complex systems and for comparison with experiments. The maximal value of the transition-path probability along the reaction coordinate , , is a common estimator for reaction-coordinate quality by comparing to the theoretical maximal value of 1/2 in the overdamped Markovian limit. We show by analytical arguments and simulations that for non-Markovian dynamics is non-monotonic as a function of the memory time and exceeds 1/2 for long memory time. This disqualifies as a criterion for reaction coordinate quality.
Keywords
Cite
@article{arxiv.2501.04512,
title = {Non-Markovianity increases transition path probability},
author = {Florian N. Brünig and Benjamin A. Dalton and Jan O. Daldrop and Roland R. Netz},
journal= {arXiv preprint arXiv:2501.04512},
year = {2025}
}