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Computer modelling: Future directions

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Recent developments in computing and in the theory of simulation have extended greatly the successes of the modelling of ionic crystals pioneered by Mott and Littleton. This has changed the way in which computer experiments are brought to bear on an increasing range of solid-state phenomena. Yet applied science creates new demands, both in the form of new types of system and in terms of the complexity and subtlety of what is studied. The author's brief survey looks at some of the successes and gaps from interfaces and catalysts to neurotransmitters and from superconductors to slags.

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Authors and Affiliations

  1. Materials Physics and Metallurgy Division, B521 Harwell Laboratory, 0X11 0RA, Didcot, Oxon, UK

    A. M. Stoneham

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  1. A. M. Stoneham
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Stoneham, A.M. Computer modelling: Future directions. J Computer-Aided Mol Des 3, 355–361 (1989). https://doi.org/10.1007/BF01532021

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