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Theoretical foundations of dynamical Monte Carlo simulations

Fichthorn, Kristen A., Weinberg, W. H.·1991·The Journal of Chemical Physics

Abstract

Monte Carlo methods are utilized as computational tools in many areas of chemical physics. In this paper, we present the theoretical basis for a dynamical Monte Carlo method in terms of the theory of Poisson processes. We show that if: (1) a ‘‘dynamical hierarchy’’ of transition probabilities is created which also satisfy the detailed-balance criterion; (2) time increments upon successful events are calculated appropriately; and (3) the effective independence of various events comprising the system can be achieved, then Monte Carlo methods may be utilized to simulate the Poisson process and both static and dynamic properties of model Hamiltonian systems may be obtained and interpreted consistently.

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Metadata

Authors
Fichthorn, K. A., & Weinberg, W. H.
Venue
The Journal of Chemical Physics
Published
1991-07-15
Volume
95
Issue
2
Pages
1090-1096
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
OpenAlex
W2137971290
Cited by
1,155
References
1
FWCI
2.94
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Theoretical foundations of dynamical Monte Carlo simulations. https://app.cochat.ai/papers/10.1063/1.461138
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Fichthorn, K. A., & Weinberg, W. H. (1991). Theoretical foundations of dynamical Monte Carlo simulations. The Journal of Chemical Physics. https://doi.org/10.1063/1.461138

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.