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Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics

  • Bussi G
  • Laio A
  • Tiwary P
Springer International Publishing, (2020), 565-595
DOI: 10.1007/978-3-319-44677-6_49
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Abstract

Metadynamics is an enhanced sampling algorithm in which the normal evolution of the system is biased by a history-dependent potential constructed as a sum of Gaussians centered along the trajectory followed by a suitably chosen set of collective variables. The sum of...

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Bussi, G., Laio, A., & Tiwary, P. (2020). Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics. In Handbook of Materials Modeling (pp. 565–595). Springer International Publishing. https://doi.org/10.1007/978-3-319-44677-6_49

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