Expanded ensemble method: Difference between revisions
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Carl McBride (talk | contribs) (New page: {{stub-general}} ==References== #[http://dx.doi.org/10.1063/1.462133 A. P. Lyubartsev, A. A. Martsinovski, S. V. Shevkunov, and P. N. Vorontsov-Velyaminov "New approach to Monte Carlo calc...) |
Carl McBride (talk | contribs) m (Added another reference.) |
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The '''expanded ensemble method''' is a [[Computer simulation techniques |simulation technique]] for computing the [[Helmholtz energy function]]. | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1063/1.462133 A. P. Lyubartsev, A. A. Martsinovski, S. V. Shevkunov, and P. N. Vorontsov-Velyaminov "New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles", Journal of Chemical Physics '''96''' pp. 1776- (1992)] | #[http://dx.doi.org/10.1063/1.462133 A. P. Lyubartsev, A. A. Martsinovski, S. V. Shevkunov, and P. N. Vorontsov-Velyaminov "New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles", Journal of Chemical Physics '''96''' pp. 1776- (1992)] | ||
#A. P. Lyubartsev, A. A. Martsinovskii, P. N. Vorontsov-Velyaminov, and T. V. Kuznetsova. "A new approach to the Monte Carlo Calculations of free energy with the use of expanded ensembles", Russian Journal of Physical Chemistry '''67''' pp. 230-235 (1993) | #A. P. Lyubartsev, A. A. Martsinovskii, P. N. Vorontsov-Velyaminov, and T. V. Kuznetsova. "A new approach to the Monte Carlo Calculations of free energy with the use of expanded ensembles", Russian Journal of Physical Chemistry '''67''' pp. 230-235 (1993) | ||
#[http://dx.doi.org/10.1080/00268979400100344 Alexander P. Lyubartsev, Aatto Laaksonen, and Pavel N. Vorontsov-Velyaminov "Free energy calculations for Lennard-Jones systems and water using the expanded ensemble method A Monte Carlo and molecular dynamics simulation study", Molecular Physics '''82''' pp. 455-471 (1994)] | |||
[[Category: Computer simulation techniques]] | [[Category: Computer simulation techniques]] | ||
Latest revision as of 13:26, 4 March 2009
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The expanded ensemble method is a simulation technique for computing the Helmholtz energy function.
References[edit]
- A. P. Lyubartsev, A. A. Martsinovski, S. V. Shevkunov, and P. N. Vorontsov-Velyaminov "New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles", Journal of Chemical Physics 96 pp. 1776- (1992)
- A. P. Lyubartsev, A. A. Martsinovskii, P. N. Vorontsov-Velyaminov, and T. V. Kuznetsova. "A new approach to the Monte Carlo Calculations of free energy with the use of expanded ensembles", Russian Journal of Physical Chemistry 67 pp. 230-235 (1993)
- Alexander P. Lyubartsev, Aatto Laaksonen, and Pavel N. Vorontsov-Velyaminov "Free energy calculations for Lennard-Jones systems and water using the expanded ensemble method A Monte Carlo and molecular dynamics simulation study", Molecular Physics 82 pp. 455-471 (1994)