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dc.contributor.authorBolhuis, Peter G
dc.contributor.authorCsányi, Gábor
dc.date.accessioned2018-09-20T12:06:23Z
dc.date.available2018-09-20T12:06:23Z
dc.date.issued2018-06-22
dc.identifier.issn0031-9007
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/280527
dc.description.abstractWe introduce a novel transition path (TPS) sampling scheme employing nested sampling. Analogous to how nested sampling explores the entire configurational phase space for atomistic systems, nested TPS samples the entire available trajectory space in one simulation. Thermodynamic and path observables can be constructed a posteriori for all temperatures simultaneously. We exploit this to compute the rate of rare processes at arbitrarily low temperature through the coupling to easily accessible rates at high temperature. We illustrate the method on several model systems.
dc.format.mediumPrint
dc.languageeng
dc.publisherAmerican Physical Society (APS)
dc.titleNested Transition Path Sampling.
dc.typeArticle
prism.issueIdentifier25
prism.publicationDate2018
prism.publicationNamePhys Rev Lett
prism.startingPage250601
prism.volume120
dc.identifier.doi10.17863/CAM.27896
dcterms.dateAccepted2018-05-08
rioxxterms.versionofrecord10.1103/PhysRevLett.120.250601
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserved
rioxxterms.licenseref.startdate2018-06
dc.identifier.eissn1079-7114
rioxxterms.typeJournal Article/Review
cam.issuedOnline2018-06-20
rioxxterms.freetoread.startdate2019-06-30


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