Histogram reweighting

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 histogram reweighting technique for Monte Carlo simulations was developed by Ferrenberg and Swendsen for the canonical ensemble (Ref. 1 and 2). With only a few simulations the entire vapor–liquid coexistence region of a pure fluid can be investigated.

In the grand-canonical ensemble[edit]

For the grand canonical ensemble see Refs. 3 and 4.

In the isothermal-isobaric ensemble[edit]

For the isothermal-isobaric ensemble see Ref. 5.

Reviews[edit]

  1. Athanassios Z Panagiotopoulos "Monte Carlo methods for phase equilibria of fluids", Journal of Physics: Condensed Matter 12 pp. R25-R52 (2000)
  2. Juan J. de Pablo, Qilinag Yan and Fernando A. Esobedo "Simulation of Phase Transitions in Fluids", Annual Review of Physical Chemistry 50 pp. 377-411 (1999)

See also[edit]

References[edit]

  1. Alan M. Ferrenberg and Robert H. Swendsen "New Monte Carlo technique for studying phase transitions", Physical Review Letters 61 pp. 2635-2638 (1988)
  2. Alan M. Ferrenberg and Robert H. Swendsen "Optimized Monte Carlo data analysis", Physical Review Letters 63 pp. 1195-1198 (1989)
  3. Nigel B. Wilding "Critical-point and coexistence-curve properties of the Lennard-Jones fluid: A finite-size scaling study", Physical Review E 52 pp. 602-611 (1995)
  4. Kenji Kiyohara, Keith E. Gubbins, and Athanassios Z. Panagiotopoulos "Phase coexistence properties of polarizable Stockmayer fluids", Journal of Chemical Physics 106 pp. 3338- (1997)
  5. P. B. Conrad and J. J. de Pablo "Comparison of histogram reweighting techniques for a flexible water model", Fluid Phase Equilibria 150-151 pp. 51-61 (1998)
  6. Michael K. Fenwick "A direct multiple histogram reweighting method for optimal computation of the density of states", Journal of Chemical Physics 129 125106 (2008)