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Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States
Open accessAbstract
We present a new Monte Carlo algorithm that produces results of high accuracy with reduced simulational effort. Independent random walks are performed (concurrently or serially) in different, restricted ranges of energy, and the resultant density of states is modified continuously to produce locally flat histograms. This method permits us to directly access the free energy and entropy, is independent of temperature, and is efficient for the study of both 1st order and 2nd order phase transitions. It should also be useful for the study of complex systems with a rough energy landscape.
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Wu, F. Y. (1982) · Reviews of Modern Physics · doi:10.1103/revmodphys.54.235 · Cited by 3,570
Cited by
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Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Laio, A., & Parrinello, M. (2002) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.202427399 · Cited by 5,626
Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
Barducci, A., Bussi, G., & Parrinello, M. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.020603 · Cited by 3,184
Laio, A., & Gervasio, F. L. (2008) · Reports on Progress in Physics · doi:10.1088/0034-4885/71/12/126601 · Cited by 1,619
Assessing the Accuracy of Metadynamics
Laio, A., Rodriguez-Fortea, A., Gervasio, F. L., Ceccarelli, M., & Parrinello, M. (2005) · The Journal of Physical Chemistry B · doi:10.1021/jp045424k · Cited by 517
Metadata
- Authors
- Wang, F., & Landau, D. P.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2001-03-05
- Volume
- 86
- Issue
- 10
- Pages
- 2050-2053
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2003582562
- Cited by
- 2,896
- References
- 1
- FWCI
- 29.25
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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