Work

Transition-path probability depends non-monotonically on memory time for non-Markovian systems

Year: 2025

Type: article

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.

Source: Europhysics Letters (EPL)

DOI: 10.1209/0295-5075/adda75

Authors: F. N. Brünig, B. A. Dalton, J. O. Daldrop, R. R. Netz

Institution: Freie Universität Berlin

Language: English

Topic: Advanced Thermodynamics and Statistical Mechanics

Subfield: Statistical and Nonlinear Physics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $1,895

Funders: Deutsche Forschungsgemeinschaft, European Research Council