Extended Ensemble Monte Carlo Method

  • Masuhiro Mikami
Part of the Springer Series in CLUSTER PHYSICS book series (CLUSTER)


We present the extended ensemble methods, i.e., the multiple temperature isobaric ensemble method, the isothermal multiple pressure ensemble method, and the multiple temperature and pressure ensemble method, as accelerated simulation techniques. We show that these are efficient for a simple material such as the Lennard—Jones system.


Monte Carlo Monte Carlo Simulation Ensemble Method Entropy Function Monte Carlo Step 
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© Springer-Verlag Berlin Heidelberg 2002

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  • Masuhiro Mikami

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