Metropolis Monte Carlo: Difference between revisions
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* [[Canonical ensemble]] (<math> NVT </math> ) | * [[Canonical ensemble]] (<math> NVT </math> ) | ||
* Isothermal-Isobaric ensemble (<math> NpT </math>) | * [[Isothermal-Isobaric ensemble]] (<math> NpT </math>) | ||
* [[Grand canonical ensemble]] (<math> \mu V T </math>) | * [[Grand canonical ensemble]] (<math> \mu V T </math>) | ||
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thermodynamic conditions. | thermodynamic conditions. | ||
The samplinng techniques make use the so-called pseudo-[[Random numbers | random number]] generators | The samplinng techniques make use the so-called pseudo-[[Random numbers |random number]] generators | ||
== Temperature == | == Temperature == | ||
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== References == | == References == | ||
M.P. Allen and D.J. Tildesley , | #M.P. Allen and D.J. Tildesley "Computer simulation of liquids", Oxford University Press | ||
Revision as of 19:58, 19 February 2007
Metropolis Monte Carlo (MMC)
MMC Simulations can be carried out in different ensembles. For the case of one-component systems the usual ensembles are:
The purpose of these techniques is to sample representative configurations of the system at the corresponding thermodynamic conditions.
The samplinng techniques make use the so-called pseudo-random number generators
Temperature
The temperature is usually fixed in MMC simulations, since in clasical statistics the kinetic degrees of freedom (momenta) can be generally, integrated out.
However, it is possible to design procedures to perform MMC simulations in the microcanonic ensembe (NVE).
References
- M.P. Allen and D.J. Tildesley "Computer simulation of liquids", Oxford University Press