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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Auteurs principaux:	Edgar A. Engel, Andrea Anelli, Michele Ceriotti, Chris J. Pickard, Richard J. Needs
Format:	article
Langue:	EN
Publié:	Nature Portfolio 2018
Sujets:	Science Q
Accès en ligne:	https://doaj.org/article/fd85fd73ab8546ac8c6e9d2dda4cbabc
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id	oai:doaj.org-article:fd85fd73ab8546ac8c6e9d2dda4cbabc
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spelling	oai:doaj.org-article:fd85fd73ab8546ac8c6e9d2dda4cbabc2021-12-02T15:33:44ZMapping uncharted territory in ice from zeolite networks to ice structures10.1038/s41467-018-04618-62041-1723https://doaj.org/article/fd85fd73ab8546ac8c6e9d2dda4cbabc2018-06-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-04618-6https://doaj.org/toc/2041-1723Ice 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 between different structures.Edgar A. EngelAndrea AnelliMichele CeriottiChris J. PickardRichard J. NeedsNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Edgar A. Engel Andrea Anelli Michele Ceriotti Chris J. Pickard Richard J. Needs Mapping uncharted territory in ice from zeolite networks to ice structures
description	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 between different structures.
format	article
author	Edgar A. Engel Andrea Anelli Michele Ceriotti Chris J. Pickard Richard J. Needs
author_facet	Edgar A. Engel Andrea Anelli Michele Ceriotti Chris J. Pickard Richard J. Needs
author_sort	Edgar A. Engel
title	Mapping uncharted territory in ice from zeolite networks to ice structures
title_short	Mapping uncharted territory in ice from zeolite networks to ice structures
title_full	Mapping uncharted territory in ice from zeolite networks to ice structures
title_fullStr	Mapping uncharted territory in ice from zeolite networks to ice structures
title_full_unstemmed	Mapping uncharted territory in ice from zeolite networks to ice structures
title_sort	mapping uncharted territory in ice from zeolite networks to ice structures
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/fd85fd73ab8546ac8c6e9d2dda4cbabc
work_keys_str_mv	AT edgaraengel mappingunchartedterritoryinicefromzeolitenetworkstoicestructures AT andreaanelli mappingunchartedterritoryinicefromzeolitenetworkstoicestructures AT micheleceriotti mappingunchartedterritoryinicefromzeolitenetworkstoicestructures AT chrisjpickard mappingunchartedterritoryinicefromzeolitenetworkstoicestructures AT richardjneeds mappingunchartedterritoryinicefromzeolitenetworkstoicestructures
_version_	1718387061877112832

Mapping uncharted territory in ice from zeolite networks to ice structures

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