Theoretical Chemistry Accounts

, Volume 103, Issue 3–4, pp 225–227 | Cite as

Perspective on “Equation of state calculations by fast computing machines”

Metropolis N, Rosenbluth AE, Rosenbluth MN, Teller AH, Teller E (1953) J Chem Phys 21: 1087–1092
  • William L. Jorgensen


An overview is given of the paper by Metropolis et al. that has formed the basis for Monte Carlo statistical mechanics simulations of atomic and molecular systems.

Key words: Monte Carlo – Statistical mechanics – Metropolis sampling 


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Copyright information

© Springer-Verlag Berlin Heidelberg 2000

Authors and Affiliations

  • William L. Jorgensen
    • 1
  1. 1.Department of Chemistry, Yale University, New Haven, CT 06520–8107, USAUS

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