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Assessing the Reliability of the Dynamics Reconstructed from Metadynamics

✍ Scribed by Salvalaglio, Matteo; Tiwary, Pratyush; Parrinello, Michele

Book ID
126835498
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
876 KB
Volume
10
Category
Article
ISSN
1549-9618

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## Abstract Metadynamics is a widely used and successful method for reconstructing the free‐energy surface of complex systems as a function of a small number of suitably chosen collective variables. This is achieved by biasing the dynamics of the system. The bias acting on the collective variables