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

Cited 16 time in webofscience Cited 0 time in scopus
  • Hit : 429
  • Download : 0
The estimate of free energy changes based on Bennett's acceptance ratio method is examined in several limiting cases and compared with other estimates based on the Jarzynski equality and on the Crooks relation. While the absolute amount of the dissipated work, defined as the surplus of the average work over the free energy difference, limits the practical applicability of Jarzynski's and Crooks' methods, the reliability of Bennett's approach is restricted by the difference of the dissipated works in the forward and the backward processes. We illustrate these points by considering a Gaussian chain and a hairpin chain which both are extended during the forward and accordingly compressed during the backward protocols. The reliability of the Crooks relation predominantly depends on the sample size; for the Jarzynski estimator the slowness of the work protocol is crucial, and the Bennett method is shown to give precise estimates irrespective of the pulling speed and sample size as long as the dissipated works are the same for the forward and the backward processes as it is the case for Gaussian work distributions. With an increasing dissipated work difference the Bennett estimator also acquires a bias which increases roughly in proportion to this difference. A substantial simplification of the Bennett estimator is provided by the 1/2 formula which expresses the free energy difference by the algebraic average of the Jarzynski estimates for the forward and the backward processes. It agrees with the Bennett estimate in all cases when the Jarzynski and the Crooks estimates fail to give reliable results.
Publisher
AMER PHYSICAL SOC
Issue Date
2012-10
Language
English
Article Type
Article
Citation

PHYSICAL REVIEW E, v.86, no.4

ISSN
1539-3755
DOI
10.1103/PhysRevE.86.041130
URI
http://hdl.handle.net/10203/103789
Appears in Collection
NT-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 16 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0