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Reverse Monte Carlo modelling

Open access
McGreevy, R L·2001·Journal of Physics: Condensed Matter

Abstract

Reverse Monte Carlo (RMC) modelling is a general method of structural modelling based on experimental data. RMC modelling can be applied to many different sorts of data, simultaneously if wished. Powder and single-crystal neutron diffraction (including isotopic substitution), x-ray diffraction (including anomalous scattering) and electron diffraction, extended x-ray absorption fine structure and nuclear magnetic resonance (magic angle spinning and second moment) have already been used to provide data. RMC modelling can also be applied to many different types of system - liquids, glasses, polymers, crystals and magnetic materials. This article outlines the RMC method and discusses some of the common misconceptions about it. It is stressed that RMC models are neither unique nor `correct'. However, they are often useful for aiding our understanding either of the structure itself, or of the relationships between local structure and other physical properties. Examples are given and the possibilities for further development of the RMC method are discussed.

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Metadata

Authors
McGreevy, R. L.
Venue
Journal of Physics: Condensed Matter
Published
2001-11-05
Volume
13
Issue
46
Pages
R877-R913
ISSN
  • 0953-8984 (ISSN-L)
  • 1361-648X
OpenAlex
W2131179479
Cited by
829
References
2
FWCI
9.43
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Reverse Monte Carlo modelling. https://app.cochat.ai/papers/10.1088/0953-8984/13/46/201
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McGreevy, R. L. (2001). Reverse Monte Carlo modelling. Journal of Physics: Condensed Matter. https://doi.org/10.1088/0953-8984/13/46/201

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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.