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Simulating rare events using a weighted ensemble-based string method

We introduce an extension to the weighted ensemble (WE) path sampling method to restrict sampling to a one-dimensional path through a high dimensional phase space. Our method, which is based on the finite-temperature string method, permits efficient sampling of both equilibrium and non-equilibrium s...

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Main Authors: Adelman, Joshua L., Grabe, Michael
格式: Artigo
語言:Inglês
出版: American Institute of Physics 2013
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3568092/
https://ncbi.nlm.nih.gov/pubmed/23387566
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4773892
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