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dc.contributor.authorReid, James
dc.contributor.authorCunning, Ben
dc.contributor.authorBernhardt, Debra
dc.date.accessioned2017-05-03T12:18:51Z
dc.date.available2017-05-03T12:18:51Z
dc.date.issued2010
dc.date.modified2011-03-14T07:02:29Z
dc.identifier.issn0021-9606
dc.identifier.doi10.1063/1.3463439
dc.identifier.urihttp://hdl.handle.net/10072/37180
dc.description.abstractThe Kawasaki identity (KI) and the Jarzynski equality (JE) are important nonequilibrium relations. Both of these relations take the form of an ensemble average of an exponential function and can exhibit convergence problems when the average of the exponent differs greatly from the log of the average of the exponential function. In this work, we re-express these relations so that only selected regions need to be evaluated in an attempt to avoid these convergence issues. In the context of measuring free energies, we compare our method to the JE and the literature standard approach, the maximum likelihood estimator (MLE), and show that in a system with asymmetric work distributions it can perform as well as the MLE. For the KI, we derive an analog to the MLE to compare with our relation and show that these two new relations improve on the KI and are complimentary to each other.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.publisher.placeUnited States
dc.relation.ispartofstudentpublicationN
dc.relation.ispartofpagefrom154108.1
dc.relation.ispartofpageto154108.7
dc.relation.ispartofissue15
dc.relation.ispartofjournalJournal of Chemical Physics
dc.relation.ispartofvolume133
dc.rights.retentionY
dc.subject.fieldofresearchChemical Thermodynamics and Energetics
dc.subject.fieldofresearchPhysical Sciences
dc.subject.fieldofresearchChemical Sciences
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchcode030602
dc.subject.fieldofresearchcode02
dc.subject.fieldofresearchcode03
dc.subject.fieldofresearchcode09
dc.titleDifferent approaches for evaluating exponentially weighted nonequilibrium relations
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.facultyGriffith Sciences, School of Natural Sciences
gro.date.issued2010
gro.hasfulltextNo Full Text
gro.griffith.authorBernhardt, Debra J.
gro.griffith.authorCunning, Ben V.
gro.griffith.authorReid, James C.


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