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Escaping free-energy minima

We introduce a powerful method for exploring the properties of the multidimensional free energy surfaces (FESs) of complex many-body systems by means of coarse-grained non-Markovian dynamics in the space defined by a few collective coordinates. A characteristic feature of these dynamics is the prese...

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Detalhes bibliográficos
Main Authors: Laio, Alessandro, Parrinello, Michele
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2002
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC130499/
https://ncbi.nlm.nih.gov/pubmed/12271136
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.202427399
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