Stochastic surface walking method for crystal structure and phase transition pathway prediction
Author:
Affiliation:
1. Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials
2. Key Laboratory of Computational Physical Science (Ministry of Education)
3. Department of Chemistry
4. Fudan University
5. Shanghai 200433, China
Abstract
SSW-crystal method for automated structure search and phase transition pathway sampling of crystals.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01485E
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