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Enhanced sampling in generalized ensemble with large gap of sampling parameter: Case study in temperature space random walk

We present an efficient sampling method for computing a partition function and accelerating configuration sampling. The method performs a random walk in the λ space, with λ being any thermodynamic variable that characterizes a canonical ensemble such as the reciprocal temperature β or any variable t...

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Detalhes bibliográficos
Main Authors: Zhang, Cheng, Ma, Jianpeng
Formato: Artigo
Idioma:Inglês
Publicado em: American Institute of Physics 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2719474/
https://ncbi.nlm.nih.gov/pubmed/19466826
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3139192
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