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...

Deskribapen osoa

Xehetasun bibliografikoak
Egile Nagusiak:	Tribello, G, Ceriotti, M, Parrinello, M
Formatua:	Journal article
Hizkuntza:	English
Argitaratua:	2010

Antzeko izenburuak

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First-principles study of the high-temperature phase of Li2NH
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A Combined Effect of Self and Reward: Relationship of Self- and Reward-Bias on Associative Learning
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Social inference and social anxiety: evidence of a fear-congruent self-referential learning bias.
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