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OPTIMADE, an API for exchanging materials data

Andersen, Casper W.; Armiento, Rickard; Blokhin, Evgeny; Conduit, Gareth J.; Dwaraknath, Shyam; Evans, Matthew L.; Fekete, Ádám; Gopakumar, Abhijith; Gražulis, Saulius; Merkys, Andrius; Mohamed, Fawzi; Oses, Corey; Pizzi, Giovanni; Rignanese, Gian-Marco; Scheidgen, Markus; Talirz, Leopold; Toher, Cormac; Winston, Donald; Aversa, Rossella ORCID iD icon 1; ... mehr


The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification.

Verlagsausgabe §
DOI: 10.5445/IR/1000137121
Veröffentlicht am 02.09.2021
DOI: 10.1038/s41597-021-00974-z
Zitationen: 23
Web of Science
Zitationen: 19
Zitationen: 27
Cover der Publikation
Zugehörige Institution(en) am KIT Steinbuch Centre for Computing (SCC)
Universität Karlsruhe (TH) – Zentrale Einrichtungen (Zentrale Einrichtungen)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 12.2021
Sprache Englisch
Identifikator ISSN: 2052-4463
KITopen-ID: 1000137121
HGF-Programm 46.21.01 (POF IV, LK 01) Domain-Specific Simulation & SDLs and Research Groups
Erschienen in Scientific data
Verlag Nature Research
Band 8
Heft 1
Seiten Art.-Nr.: 217
Vorab online veröffentlicht am 12.08.2021
Nachgewiesen in Scopus
Web of Science
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