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Comparison of free-energy estimators and their dependence on dissipated work

โœ Scribed by Kim, Seongjin; Kim, Yong Woon; Talkner, Peter; Yi, Juyeon


Book ID
120513390
Publisher
The American Physical Society
Year
2012
Tongue
English
Weight
812 KB
Volume
86
Category
Article
ISSN
1063-651X

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We present a comparison of four free energy calculation methods: ลฝ . ลฝ . thermodynamic integration TI ; traditional free energy perturbation FEP ; ลฝ . Bennett's acceptance ratio method IPS ; and a method that is related to an ลฝ . implementation of the WHAM method CRS . The theoretical bases of the