4.4 Article

CONVERGENCE OF METADYNAMICS: DISCUSSION OF THE ADIABATIC HYPOTHESIS

期刊

ANNALS OF APPLIED PROBABILITY
卷 31, 期 5, 页码 2441-2477

出版社

INST MATHEMATICAL STATISTICS-IMS
DOI: 10.1214/20-AAP1652

关键词

Adaptive biasing dynamics; metadynamics; Ray-Knight representation; self-repelling diffusions

资金

  1. European Research Council under the European Union [614492]
  2. European Research Council (ERC) [614492] Funding Source: European Research Council (ERC)

向作者/读者索取更多资源

By drawing a parallel between metadynamics and self interacting models for polymers, the study focuses on the longtime convergence of the original metadynamics algorithm in the adiabatic setting, and discusses the bias introduced when the adiabatic assumption does not hold.
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 hold.

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