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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 (2014)

First Author: Buckeridge J
Attributed to:  e-Infrastructure South Consortium - Centre for Innovation funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1016/j.cpc.2013.08.026

Publication URI: http://dx.doi.org/10.1016/j.cpc.2013.08.026

Type: Journal Article/Review

Parent Publication: Computer Physics Communications

Issue: 1