Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Utrecht University R...arrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
https://doi.org/10.1142/978981...
Article . 1998 . Peer-reviewed
Data sources: Crossref
https://doi.org/10.1007/978-94...
Part of book or chapter of book . 1990 . Peer-reviewed
Data sources: Crossref
versions View all 4 versions
addClaim

Monte Carlo simulations

Authors: Frenkel, D.;

Monte Carlo simulations

Abstract

Monte Carlo simulation techniques are discussed, with special emphasis on those technical aspects that are important for the simulation of dense liquids and solids. In these notes, the Metropolis sampling scheme is introduced as a special case of importance sampling. The choice of the optimum trial move is discussed, as are the problems encountered when sampling orientational and internal degrees of freedom. After introducing the MC method as a technique to measure averages in the canonical ensemble, we briefly look at simulations in other ensembles, in particular: microcanonical, isobaric-isothermal and grand-canonical. The latter ensemble forms the starting point for a discussion of particle insertion techniques to measure the chemical potential and more general acceptance-ratio and overlapping distribution schemes. We thereupon discuss the application of computer simulation techniques to the study of phase transitions. Although the emphasis is on first-order transitions, a few remarks are made about the technical problems posed by continuous phase transitions. We end with a discussion of the relative merits of Monte Carlo and Molecular Dynamics simulations.

Country
Netherlands
Keywords

Scheikunde

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    12
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
12
Top 10%
Top 10%
Average
Green