OPTIMADE, an API for exchanging materials data
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Published:2021-08-12
Issue:1
Volume:8
Page:
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ISSN:2052-4463
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Container-title:Scientific Data
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language:en
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Short-container-title:Sci Data
Author:
Andersen Casper W., Armiento Rickard, Blokhin EvgenyORCID, Conduit Gareth J., Dwaraknath ShyamORCID, Evans Matthew L., Fekete Ádám, Gopakumar Abhijith, Gražulis Saulius, Merkys AndriusORCID, Mohamed Fawzi, Oses Corey, Pizzi GiovanniORCID, Rignanese Gian-MarcoORCID, Scheidgen Markus, Talirz LeopoldORCID, Toher Cormac, Winston Donald, Aversa RossellaORCID, Choudhary KamalORCID, Colinet Pauline, Curtarolo Stefano, Di Stefano Davide, Draxl ClaudiaORCID, Er SuleymanORCID, Esters Marco, Fornari Marco, Giantomassi Matteo, Govoni MarcoORCID, Hautier GeoffroyORCID, Hegde Vinay, Horton Matthew K.ORCID, Huck PatrickORCID, Huhs Georg, Hummelshøj Jens, Kariryaa Ankit, Kozinsky BorisORCID, Kumbhar Snehal, Liu Mohan, Marzari NicolaORCID, Morris Andrew J.ORCID, Mostofi Arash A.ORCID, Persson Kristin A., Petretto GuidoORCID, Purcell Thomas, Ricci Francesco, Rose Frisco, Scheffler MatthiasORCID, Speckhard Daniel, Uhrin MartinORCID, Vaitkus Antanas, Villars Pierre, Waroquiers David, Wolverton Chris, Wu Michael, Yang Xiaoyu
Abstract
AbstractThe 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.
Funder
Vetenskapsrådet U.S. Department of Energy EC | Horizon 2020 Framework Programme RCUK | Engineering and Physical Sciences Research Council U.S. Department of Commerce U.S. Department of Defense National Science Foundation Swiss National Science Foundation | National Center of Competence in Research Materials' Revolution: Computational Design and Discovery of Novel Materials Fonds De La Recherche Scientifique - FNRS
Publisher
Springer Science and Business Media LLC
Subject
Library and Information Sciences,Statistics, Probability and Uncertainty,Computer Science Applications,Education,Information Systems,Statistics and Probability
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