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From ergodicity to extended phase diagrams.

Woodley, SM; Sokol, AA; (2012) From ergodicity to extended phase diagrams. Angew Chem Int Ed Engl , 51 (16) pp. 3752-3754. 10.1002/anie.201109030.

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Abstract

Structure prediction of stable and metastable phases is put on equal footing for the first time, with a solid thermodynamical background. How to estimate the lifetime of metastable phases is demonstrated by recent groundbreaking work of Jansen, Pentin, and Schön. At the heart lies the exploration of the Gibbs free-energy landscapes and the extended phase diagrams for complex systems.

Type: Article
Title: From ergodicity to extended phase diagrams.
Location: Germany
DOI: 10.1002/anie.201109030
UCL classification: UCL > School of BEAMS > Faculty of Maths and Physical Sciences
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
URI: http://discovery.ucl.ac.uk/id/eprint/1343021
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