Expanded ensemble method

From SklogWiki
Jump to: navigation, search
Simeq0.png This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page.

The expanded ensemble method is a simulation technique for computing the Helmholtz energy function.


  1. 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)
  2. 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)
  3. 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)