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Assessing the accuracy of metadynamics

Laio, Alessandro
•
A. RODRIGUEZ FORTEA
•
FL GERVASIO
altro
M. PARRINELLO
2005
  • journal article

Periodico
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
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.
WOS
WOS:000228231200033
Archivio
http://hdl.handle.net/20.500.11767/13332
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-17444412296
Diritti
closed access
Visualizzazioni
6
Data di acquisizione
Apr 19, 2024
Vedi dettagli
google-scholar
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