A self-learning algorithm for biased molecular dynamics.

A self-learning algorithm for biased molecular dynamics.

A new self-learning algorithm for accelerated dynamics, reconnaissance metadynamics, is proposed that is able to work with a very large number of collective coordinates. Acceleration of the dynamics is achieved by constructing a bias potential in terms of a patchwork of one-dimensional, locally vali...

Полное описание

Библиографические подробности
Главные авторы:	Tribello, G, Ceriotti, M, Parrinello, M
Формат:	Journal article
Язык:	English
Опубликовано:	2010

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