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Error and efficiency of simulated tempering simulations

We derive simple analytical expressions for the error and computational efficiency of simulated tempering (ST) simulations. The theory applies to the important case of systems whose dynamics at long times is dominated by the slow interconversion between two metastable states. An extension to the mul...

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Detalles Bibliográficos
Autores principales: Rosta, Edina, Hummer, Gerhard
Formato: Artigo
Lenguaje:Inglês
Publicado: U.S. Government 2010
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2821152/
https://ncbi.nlm.nih.gov/pubmed/20095723
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3290767
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