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Replica exchange with nonequilibrium switches
We introduce a replica exchange (parallel tempering) method in which attempted configuration swaps are generated using nonequilibrium work simulations. By effectively increasing phase space overlap, this approach mitigates the need for many replicas. We illustrate our method by using a model system...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
2009
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2718341/ https://ncbi.nlm.nih.gov/pubmed/19592512 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0900406106 |
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