Mapping uncharted territory in ice from zeolite networks to ice structures

Ice is one of the most well-studied condensed matter systems, yet new phases are still being discovered. Here the authors report a large-scale computational study of the configuration space of water ice, creating a navigable “sketch-map” including new predicted phases as well as relationships betwee...

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Bibliographic Details
Main Authors: Edgar A. Engel, Andrea Anelli, Michele Ceriotti, Chris J. Pickard, Richard J. Needs
Format: Article
Language:English
Published: Nature Publishing Group 2018-06-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-018-04618-6