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Journal Articles Annals of Applied Probability Year : 2021

Convergence of metadynamics: discussion of the adiabatic hypothesis

Abstract

By drawing a parallel between metadynamics and self interacting models for polymers, we study the longtime convergence of the original metadynamics algorithm in the adiabatic setting, namely when the dynamics along the collective variables decouples from the dynamics along the other degrees of freedom. We also discuss the bias which is introduced when the adiabatic assumption does not holds.

Dates and versions

hal-02104961 , version 1 (19-04-2019)

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Benjamin Jourdain, Tony Lelièvre, Pierre-André Zitt. Convergence of metadynamics: discussion of the adiabatic hypothesis. Annals of Applied Probability, 2021, 31 (5), pp.2441-2477. ⟨10.1214/20-AAP1652⟩. ⟨hal-02104961⟩
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