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Mechanism for asymmetric bias in demonstrations of the NPI and fluctuation theorem

Petersen, Charlotte; Evans, Denis; Williams, Stephen


We consider two different methods of calculating the relevant average for the non-equilibrium partition identity (NPI), i.e. (Formula presented.), which result in two different values. At best only one of these will accurately correspond to what is observed. In order to better understand the two outcomes we carry out a detailed error analysis. This analysis is difficult due to the importance of extremely rare events in forming the average, resulting in the necessity to go beyond linear...[Show more]

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
Source: Molecular Simulation
DOI: 10.1080/08927022.2015.1068940


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