Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of traje...
Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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Equilibrium formally can be represented as an ensemble of uncoupled systems undergoing unbiased dynamics in which detailed balance is maintained. Many non-equilibrium processes can be described by suitable subsets of the equilibrium ensemble. Here, we employ the "weighted ensemble" (WE) simulation protocol [Huber and Kim, Biophys. J., 1996] to gene...
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Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories
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TN_cdi_proquest_journals_2084750967
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2084750967
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2331-8422
