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arXiv · 1904.08667

Convergence of metadynamics: discussion of the adiabatic hypothesis

Benjamin Jourdain·Tony Lelièvre·Pierre-André Zitt
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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.

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Benjamin Jourdain, Tony Lelièvre, Pierre-André Zitt. 2019-04-18. Convergence of metadynamics: discussion of the adiabatic hypothesis. https://arxiv.org/abs/1904.08667

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