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Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds

Buckeridge, J, Scanlon, D. O., Walsh, A and Catlow, Charles 2014. Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. Computer Physics Communications 185 (1) , pp. 330-338. 10.1016/j.cpc.2013.08.026

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Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Subjects: Q Science > QD Chemistry
Additional Information: First available online 9 September 2013
Publisher: Elsevier
ISSN: 0010-4655
Date of Acceptance: 28 August 2013
Last Modified: 25 Feb 2019 13:33
URI: http://orca-mwe.cf.ac.uk/id/eprint/83926

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