About: Computationally Assisted Identification of Functional Inorganic Materials

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scientific article published in Science

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rdf:type	Item
description	artículu científicu (ast) wetenschappelijk artikel (nl) наукова стаття, опублікована у квітні 2013 (uk) article publié dans la revue scientifique Science (fr) im April 2013 veröffentlichter wissenschaftlicher Artikel (de) scientific article published in Science (en)
publication date	wds:Q57641117-79FA5C1D-FC76-479D-84F9-0621635F5B81
publication date	2013-04-11 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57641117-DE2D90D3-7B23-4258-9648-0865C5B31A18
language of work or name	English
cites work	wds:Q57641117-0342E042-C70C-469C-B55F-B365CAF00727 wds:Q57641117-2AF656B5-8E4E-4043-A3A7-CFABAE6FC864 wds:Q57641117-4DE4C96C-CA47-4739-A453-FD27B502B1FA wds:Q57641117-50B8A3CC-F54C-4ABE-AB3B-B4CDDF98F26F wds:Q57641117-559E7F87-A1E4-4813-A9E0-177FEE3869B8 wds:Q57641117-6E620859-A563-47C3-B8A9-B02950E02454 wds:Q57641117-A4AA39BD-0B5C-421C-A7D3-5B2340D71EF9 wds:Q57641117-A6E8D09F-24A7-4068-8BFF-86493A7CE526 wds:Q57641117-C71802C4-5011-4E44-BB77-6D39233D3AE9 wds:Q57641117-F83DD203-6CC4-4253-AF2A-06D6F8D5DC7D wds:Q57641117-F99C23AA-63DF-4FC1-A530-AF4024DD78A1 wds:Q57641117-FD120E4B-451C-49B0-A414-92F90384FBE4 wds:Q57641117-FF5A4BAF-1A6C-4070-9519-24CABDE8CBF7
cites work	A major advance in crystal structure prediction Generalized Gradient Approximation Made Simple From ultrasoft pseudopotentials to the projector augmented-wave method Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Li1.5La1.5MO6 (M = W 6+, Te 6+) as a new series of lithium-rich double perovskites for all-solid-state lithium-ion batteries The General Utility Lattice Program (GULP) Predicting crystal structure by merging data mining with quantum mechanics Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation Microwave ferrites, part 1: fundamental properties Systematic enumeration of crystalline networks Uncovering compounds by synergy of cluster expansion and high-throughput methods. Band-gap design of quaternary (In,Ga)(As,Sb) semiconductors via the inverse-band-structure approach.
author name string	wds:Q57641117-2E751435-0C40-42FA-91FC-9A37E2AC10D2 wds:Q57641117-487527C4-43E4-4D3F-ABF7-4C2EDC8BFB3E wds:Q57641117-4F3A8DEB-F1BD-4A42-B3A4-450B74760BEC wds:Q57641117-B9A67AD8-D237-4B73-A154-836AD71833F4 wds:Q57641117-BEA8CBF8-F694-4F0A-9B1D-6D0AF108CEC6 wds:Q57641117-F7690421-8DF2-491B-B097-0BA9B117800F
author name string	Matthew J Rosseinsky Antoine Demont Michael F Thomas Ruth Sayers Simon Romani Darren Hodgeman
rdfs:label	Computationally Assisted Identification of Functional Inorganic Materials (en) Computationally Assisted Identification of Functional Inorganic Materials (nl)
skos:prefLabel	Computationally Assisted Identification of Functional Inorganic Materials (en) Computationally Assisted Identification of Functional Inorganic Materials (nl)
name	Computationally Assisted Identification of Functional Inorganic Materials (en) Computationally Assisted Identification of Functional Inorganic Materials (nl)
author	wds:Q57641117-7E213D1B-DF39-440F-A1B8-7AAE06040E0A wds:Q57641117-88A63631-F331-46C0-8B8A-F8F7ED434962 wds:Q57641117-B24E9299-B166-430C-940A-6BB436EFB5EE wds:Q57641117-D0F1E467-07C6-45CD-8527-4BB92ED632BA wds:Q57641117-E71D9C63-98CC-45CE-922A-C492D409E19C
author	John B. Claridge Philip A Chater Matthew S Dyer George R Darling Christopher Collins
title	wds:Q57641117-65A80FBE-ADCC-49BF-AA42-56231C16BEF0
title	Computationally assisted identification of functional inorganic materials (en)
page(s)	wds:Q57641117-E2F23AFD-06C6-4AA9-9837-F4BD07E2E4BF
page(s)	847-852
instance of	wds:Q57641117-662F565D-E057-4C6A-AF11-FA304CB2121E
instance of	scholarly article
PubMed ID	wds:Q57641117-D06E0BAC-D024-42EF-AF1A-803F58DAF1F2
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/23579498
PubMed ID	23579498
published in	wds:Q57641117-71338637-255D-429A-8557-EA900D69D83D
published in	Science
issue	wds:Q57641117-944DE738-2EA0-41C1-B133-B5724DF3D078
volume	wds:Q57641117-67FE2564-EFEF-4479-9678-23BDFEBA94B7
issue	6134
volume	340
DOI	wds:Q57641117-4A1C09FC-7041-4EEC-867A-9B4A090122AD
DOI	http://dx.doi.org/10.1126/SCIENCE.1226558
DOI	10.1126/SCIENCE.1226558
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57641117
is cites work of	Porous materials. Function-led design of new porous materials. Functional materials discovery using energy-structure-function maps Inorganic materials: intuition weaved into computation. Reported and predicted structures of Ba(Co,Nb)1−δO3 hexagonal perovskite phases Three-dimensional vectorial holography based on machine learning inverse design In silico prediction and screening of modular crystal structures via a high-throughput genomic approach. Energy-Structure-Function Maps: Cartography for Materials Discovery. Accelerated discovery of two crystal structure types in a complex inorganic phase field. Design of crystal-like aperiodic solids with selective disorder-phonon coupling. The chemical bond as an emergent phenomenon. Genetic engineering of inorganic functional modular materials. Computationally Guided Discovery of the Sulfide Li3AlS3 in the Li-Al-S Phase Field: Structure and Lithium Conductivity
is cites work of	wds:Q51595636-6B8B64CC-F2AD-43BD-913C-1C2B1700CEF7 wds:Q57641114-45D43BB4-08DA-4FD4-9BA7-84035F9172D3 wds:Q96135666-2678C715-3547-4B27-A7C0-F901CC9A99AB wds:Q41701506-94B2AF41-0ED3-43F2-8CD4-6E4DDAEFED00

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