| Literature DB >> 16851755 |
Alessandro Laio1, Antonio Rodriguez-Fortea, Francesco Luigi Gervasio, Matteo Ceccarelli, Michele Parrinello.
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.Year: 2005 PMID: 16851755 DOI: 10.1021/jp045424k
Source DB: PubMed Journal: J Phys Chem B ISSN: 1520-5207 Impact factor: 2.991