Computer-aided discovery of a metal–organic framework with superior oxygen uptake

The emergence of thousands of metal–organic frameworks (MOFs) has created the challenge of finding promising structures for particular applications. Here, the authors present a tool for computer-aided material discovery where a large number of MOFs are screened, with the top-ranked structure synthes...

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Autores principales:	Peyman Z. Moghadam, Timur Islamoglu, Subhadip Goswami, Jason Exley, Marcus Fantham, Clemens F. Kaminski, Randall Q. Snurr, Omar K. Farha, David Fairen-Jimenez
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/c5ac0ca198fc4a5faf83881675cb6052
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spelling	oai:doaj.org-article:c5ac0ca198fc4a5faf83881675cb60522021-12-02T15:33:56ZComputer-aided discovery of a metal–organic framework with superior oxygen uptake10.1038/s41467-018-03892-82041-1723https://doaj.org/article/c5ac0ca198fc4a5faf83881675cb60522018-04-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-03892-8https://doaj.org/toc/2041-1723The emergence of thousands of metal–organic frameworks (MOFs) has created the challenge of finding promising structures for particular applications. Here, the authors present a tool for computer-aided material discovery where a large number of MOFs are screened, with the top-ranked structure synthesized for oxygen storage applications.Peyman Z. MoghadamTimur IslamogluSubhadip GoswamiJason ExleyMarcus FanthamClemens F. KaminskiRandall Q. SnurrOmar K. FarhaDavid Fairen-JimenezNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-8 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Peyman Z. Moghadam Timur Islamoglu Subhadip Goswami Jason Exley Marcus Fantham Clemens F. Kaminski Randall Q. Snurr Omar K. Farha David Fairen-Jimenez Computer-aided discovery of a metal–organic framework with superior oxygen uptake
description	The emergence of thousands of metal–organic frameworks (MOFs) has created the challenge of finding promising structures for particular applications. Here, the authors present a tool for computer-aided material discovery where a large number of MOFs are screened, with the top-ranked structure synthesized for oxygen storage applications.
format	article
author	Peyman Z. Moghadam Timur Islamoglu Subhadip Goswami Jason Exley Marcus Fantham Clemens F. Kaminski Randall Q. Snurr Omar K. Farha David Fairen-Jimenez
author_facet	Peyman Z. Moghadam Timur Islamoglu Subhadip Goswami Jason Exley Marcus Fantham Clemens F. Kaminski Randall Q. Snurr Omar K. Farha David Fairen-Jimenez
author_sort	Peyman Z. Moghadam
title	Computer-aided discovery of a metal–organic framework with superior oxygen uptake
title_short	Computer-aided discovery of a metal–organic framework with superior oxygen uptake
title_full	Computer-aided discovery of a metal–organic framework with superior oxygen uptake
title_fullStr	Computer-aided discovery of a metal–organic framework with superior oxygen uptake
title_full_unstemmed	Computer-aided discovery of a metal–organic framework with superior oxygen uptake
title_sort	computer-aided discovery of a metal–organic framework with superior oxygen uptake
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/c5ac0ca198fc4a5faf83881675cb6052
work_keys_str_mv	AT peymanzmoghadam computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT timurislamoglu computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT subhadipgoswami computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT jasonexley computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT marcusfantham computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT clemensfkaminski computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT randallqsnurr computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT omarkfarha computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake AT davidfairenjimenez computeraideddiscoveryofametalorganicframeworkwithsuperioroxygenuptake
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Computer-aided discovery of a metal–organic framework with superior oxygen uptake

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