The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 1999-05, Vol.1 (10), p.2535-2542
Main Authors: WOODLEY, S. M, BATTLE, P. D, GALE, J. D, CATLOW, C. R. A
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Crystalline state (including molecular motions in solids)
Exact sciences and technology
Physics
Structure of solids and liquids
crystallography
Theory of crystal structure, crystal symmetry
calculations and modeling
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ISSN:1463-9076
1463-9084
DOI:10.1039/a901227c