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Assessing the accuracy of metadynamics

Articolo
Data di Pubblicazione:
2005
Abstract:
Metadynamics is a powerful technique that has been successfully exploited to explore the multidimensional free energy surface of complex polyatomic systems and predict transition mechanisms in very different fields, ranging from chemistry and solid-state physics to biophysics. We here derive an explicit expression for the accuracy of the methodology and provide a way to choose the parameters of the method in order to optimize its performance.
Tipologia CRIS:
01.01 Articolo in rivista
Elenco autori:
Ceccarelli, Matteo
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/11636
Pubblicato in:
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Journal
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