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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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Sonraí Bibleagrafaíochta
Main Authors: Rosta, Edina, Hummer, Gerhard
Formáid: Artigo
Teanga:Inglês
Foilsithe: U.S. Government 2010
Ábhair:
Rochtain Ar Líne: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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