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

Physical Chemistry Chemical Physics

Volumn 1, Issue 10, 1999, Pages 2535-2542

  Woodley, Scott M ^a   Battle, Peter D ^b   Gale, Julian D ^c   Catlow, C Richard A ^a  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

METAL OXIDE; OXIDE;

ALGORITHM; ARTICLE; ATOMIC PARTICLE; CHEMICAL BOND; COMPUTER PROGRAM; COMPUTER SIMULATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ELECTRICAL POTENTIAL PARAMETERS; PREDICTION; STRUCTURE ANALYSIS;

EID: 0033562076     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a901227c     Document Type: Article

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