Literature DB >> 22383381

From ergodicity to extended phase diagrams.

Scott M Woodley1, Alexey A Sokol.   

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.
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Year:  2012        PMID: 22383381     DOI: 10.1002/anie.201109030

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN: 1433-7851            Impact factor:   15.336


  1 in total

1.  Inorganic materials: intuition weaved into computation.

Authors:  Richard Catlow
Journal:  Nat Chem       Date:  2013-07-14       Impact factor: 24.427

  1 in total

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