Grand canonical Monte Carlo
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Monte Carlo in the grand-canonical ensemble.
Introduction
Grand-Canonical Monte Carlo is a very versatile and powerful techinque that explicitely accounts for density fluctuations at fixed volume and temperature. This is achieved by means of trial insertion and deletion of molecules. Although this feature has made it the prefered choice for the study of interfacial phenomena, in the last decade grand-canonical simulations have also found widespread applications in the study of bulk properties. Such applications had been hitherto limited by the very low particle insertion and deletion probabilities, but the development of the configurational bias grand canonical technique has very much improved the situation.
References
- G. E. Norman and V. S. Filinov "INVESTIGATIONS OF PHASE TRANSITIONS BY A MONTE-CARLO METHOD", High Temperature 7 pp. 216-222 (1969)
- D. J. Adams "Chemical potential of hard-sphere fluids by Monte Carlo methods", Molecular Physics 28 pp. 1241-1252 (1974)