The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Equilibrium Free Energies from Nonequilibrium Measurements Using Maximum-Likelihood Methods
Abstract
We present a maximum likelihood argument for the Bennett acceptance ratio method, and derive a simple formula for the variance of free energy estimates generated using this method. This derivation of the acceptance ratio method, using a form of logistic regression, a common statistical technique, allows us to shed additional light on the underlying physical and statistical properties of the method. For example, we demonstrate that the acceptance ratio method yields the lowest variance for any estimator of the free energy which is unbiased in the limit of large numbers of measurements.
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The Elements of Statistical Learning
Hastie, T., Tibshirani, R., & Friedman, J. (2009) · Springer Series in Statistics · doi:10.1007/978-0-387-84858-7 · Cited by 25,970
The Elements of Statistical Learning
Hastie, T., Friedman, J., & Tibshirani, R. (2001) · Springer Series in Statistics · doi:10.1007/978-0-387-21606-5 · Cited by 24,162
McCullagh, P., & Nelder, J. A. (1989) · doi:10.1007/978-1-4899-3242-6 · Cited by 16,836
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Metadata
- Authors
- Shirts, M. R., Bair, E., Hooker, G., & Pande, V. S.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2003-10-02
- Volume
- 91
- Issue
- 14
- Pages
- 140601-140601
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1970690135
- Cited by
- 493
- References
- 3
- FWCI
- 5.10
- Type
- journal article
- Language
- en
- Open access
- closed
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- Shirts, M. R., Bair, E., Hooker, G., & Pande, V. S. (2003). Equilibrium Free Energies from Nonequilibrium Measurements Using Maximum-Likelihood Methods. Physical Review Letters. https://doi.org/10.1103/physrevlett.91.140601
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