On the Hill relation and the mean reaction time for metastable processes

Manon Baudel, Arnaud Guyader and Tony Lelièvre

Stochastic Processes and their Applications, 2023, vol. 155, issue C, 393-436

Abstract: We illustrate how the Hill relation and the notion of quasi-stationary distribution can be used to analyse the biasing error introduced by many numerical procedures that have been proposed in the literature, in particular in molecular dynamics, to compute mean reaction times between metastable states for Markov processes. The theoretical findings are illustrated on various examples demonstrating the sharpness of the biasing error analysis as well as the applicability of our study to elliptic diffusions.

Keywords: Source–sink process; Hill relation; Transition path process; Reactive trajectory; Quasi-stationary distribution (search for similar items in EconPapers)
Date: 2023
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Persistent link: https://EconPapers.repec.org/RePEc:eee:spapps:v:155:y:2023:i:c:p:393-436

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DOI: 10.1016/j.spa.2022.10.014

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