Summary
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.
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© 2002 Springer-Verlag Berlin Heidelberg
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Mikami, M. (2002). Extended Ensemble Monte Carlo Method. In: Kawazoe, Y., Kondow, T., Ohno, K. (eds) Clusters and Nanomaterials. Springer Series in CLUSTER PHYSICS. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-04812-2_12
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DOI: https://doi.org/10.1007/978-3-662-04812-2_12
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-07522-3
Online ISBN: 978-3-662-04812-2
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