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

โœ Scribed by Woodley, Scott M.; Battle, Peter D.; Gale, Julian D.; Richard A. Catlow, C

Book ID
111688299
Publisher
Royal Society of Chemistry
Year
1999
Tongue
English
Weight
304 KB
Volume
1
Category
Article
ISSN
1463-9076

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Crystal structure prediction of flexible
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โœ Seonah Kim; Anita M. Orendt; Marta B. Ferraro; Julio C. Facelli ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 423 KB

## Abstract This article describes the application of our distributed computing framework for crystal structure prediction (CSP) the modified genetic algorithms for crystal and cluster prediction (MGAC), to predict the crystal structure of flexible molecules using the general Amber force field (GAF