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Computer modelling of solid-state inorganic materials

Nature volume 347, pages 243–248 (1990)Cite this article

Abstract

Computational methods can now make detailed and accurate predictions of the structures of inorganic materials. Electronic-structure calculations are being performed for increasingly large systems, and simulation methods based on 'effective potentials' may now be used to model complex materials. One of the most exciting fields of application is mineralogy, which poses a major challenge to the predictive capacity of contemporary computational techniques.

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Authors and Affiliations

  1. Davy-Faraday Research Laboratories, The Royal Institution, 21 Albermarle Street, London, W1X 4BS, UK

    C. R. A. Catlow

  2. Department of Geological Sciences, University College London, Gower Street, London, WC1E 6BT, UK

    Geoffrey D. Price

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  1. C. R. A. Catlow
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  2. Geoffrey D. Price
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Catlow, C., Price, G. Computer modelling of solid-state inorganic materials. Nature 347, 243–248 (1990). https://doi.org/10.1038/347243a0

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