Extended Ensemble Monte Carlo Method

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

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.

Keywords

Entropy Crystallization Benzene Zeolite Carboxylate 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 12.1
    A.D. Chandani, E. Georecha, Y. Ouchi, H. Takezoe, A. Fukuda: Jpn. J. Appl. Phys. 28, L1265 (1989)ADSCrossRefGoogle Scholar
  2. 12.2
    K. Hori, K. Endo: Bull. Chem. Soc. Jpn. 66, 46 (1993)CrossRefGoogle Scholar
  3. 12.3
    H. Toriumi, M. Yoshida, M. Mikami, M. Takeuchi, A. Mochizuki: J. Phys. Chem. 100, 15207 (1996)CrossRefGoogle Scholar
  4. 12.4
    M.B. Kruger, R. Jeanloz: Science 249, 647 (1992)ADSCrossRefGoogle Scholar
  5. 12.5
    M. Mikami, I. Fukuda: Molecular Simulation 16, 375 (1996)CrossRefGoogle Scholar
  6. 12.6
    R. Lee, K. Ohno, Y. Kawazoe, M. Mikami, Y. Masuda: Comp. Mater. Sci. 4, 241 (1995)CrossRefGoogle Scholar
  7. 12.7
    M. Mikami, T. Matsuzaki, M. Masuda, T. Shimizu, K. Tanabe: Comp. Mater. Sci. 14, 267 (1999)Google Scholar
  8. 12.8
    B.A. Berg, T. Neuhaus: Phys. Lett. B267, 249 (1991)Google Scholar
  9. 12.9
    C. Tsallis: J. Stat. Phys. 52, 479 (1988)MathSciNetADSMATHCrossRefGoogle Scholar
  10. 12.10
    G.M. Torrie, J.P. Valleau: J. Comp. Phys. 23, 187 (1977)ADSCrossRefGoogle Scholar
  11. 12.11
    Y. Okamoto, U.H.E. Hansmann: J. Phys. Chem. 99, 2236 (1995)CrossRefGoogle Scholar
  12. 12.12
    G.R. Smith, A.D. Bruce: Phys. Rev. E53, 6530 (1996)ADSGoogle Scholar
  13. 12.13
    M. Mikami, C. Muguruma, M. Kawata, Y. Okamoto: Chem. Phys. Lett. to be submittedGoogle Scholar
  14. 12.14
    L.R. McDonald: Mol. Phys. 23, 41 (1972)ADSCrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2002

Authors and Affiliations

  • Masuhiro Mikami

There are no affiliations available

Personalised recommendations