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Supercomputer Simulations in Solid State Chemistry

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Supercomputer Simulations in Chemistry

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 44))

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Abstract

We describe those areas of solid state chemistry in which computer simulation studies using supercomputers have proved of value. Following a general survey of the field we focus on three recent examples which concern the simulation of ion transport in superionic β″Al 2 O 3, the study of sorption in zeolites, and the properties of BaTiO3 ceramics.

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Keele, Keele, Staffs, ST5 5BG, UK

    C. R. A. Catlow

Authors
  1. C. R. A. Catlow
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Editor information

Editors and Affiliations

  1. Dept. 48B MS 428, Data Systems Division, IBM Corporation, Neighborhood Road, Kingston, New York, 12401, USA

    M. Dupuis

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© 1986 Springer-Verlag Berlin Heidelberg

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Catlow, C.R.A. (1986). Supercomputer Simulations in Solid State Chemistry. In: Dupuis, M. (eds) Supercomputer Simulations in Chemistry. Lecture Notes in Chemistry, vol 44. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-51060-1_11

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  • DOI: https://doi.org/10.1007/978-3-642-51060-1_11

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-17178-2

  • Online ISBN: 978-3-642-51060-1

  • eBook Packages: Springer Book Archive

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