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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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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2009
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| 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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