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OPTIMADE, an API fo...
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Andersen, Casper W.Ecole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland
(author)
OPTIMADE, an API for exchanging materials data
- Article/chapterEnglish2021
Publisher, publication year, extent ...
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2021-08-12
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Nature Portfolio,2021
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electronicrdacarrier
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LIBRIS-ID:oai:DiVA.org:liu-178760
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https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-178760URI
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https://doi.org/10.1038/s41597-021-00974-zDOI
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
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Funding Agencies|MARVEL National Centre of Competence in Research - Swiss National Science Foundation [51NF40-182892]; European Centre of Excellence MaX "Materials design at the Exascale" [824143]; "MARKETPLACE" H2020 project [760173]; Swedish e-Science Research Centre (SeRC); Swedish Research Council (VR)Swedish Research Council [2016-04810, 2020-05402]; European Unions Horizon 2020 Research and Innovation Program [654360 NFFA-EUROPE, 689868]; Royal SocietyRoyal Society of LondonEuropean Commission; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering DivisionUnited States Department of Energy (DOE) [DE-AC02-05-CH11231]; European Unions Horizon 2020 research and innovation program under the European Unions Grant agreement [951786]; EPSRC CDT in Computational Methods for Materials Science [EP/L015552/1]; Toyota Research Institute; U.S. Department of Commerce, National Institute of Standards and Technology, Center for Hierarchical Materials Design (CHiMaD) [70NANB14H012]; MICCoM, as part of the Computational Materials Sciences Program - U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering DivisionUnited States Department of Energy (DOE); EPSRCUK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/M022595/1, EP/T026642/1]; EPSRC High-End Computing Consorium, UKCPUK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/P022561/1]; F.R.S.-FNRSFonds de la Recherche Scientifique - FNRS; European Unions Horizon 2020 research and innovation program under the European Unions Grant [676580]; Max Planck research network on big-data-driven materials science (BiGmax); DOD-ONROffice of Naval ResearchUnited States Department of Defense [N00014-17-1-2090, N00014-17-1-2876]; National Science Foundation under DMREF GrantNational Science Foundation (NSF)NSF - Directorate for Computer & Information Science & Engineering (CISE) [DMR-1921909]; National Key Research and Development Program of China [2017YFB0701702, 2016YFB0700501]
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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.
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Armiento, RickardLinköpings universitet,Teoretisk Fysik,Tekniska fakulteten(Swepub:liu)ricar47
(author)
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Blokhin, EvgenyTilde Mat Informat, Germany; Mat Platform Data Sci, Estonia
(author)
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Conduit, Gareth J.Condensed Matter Theory Grp, England
(author)
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Dwaraknath, ShyamLawrence Berkeley Natl Lab, CA 94720 USA
(author)
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Evans, Matthew L.Condensed Matter Theory Grp, England; UCLouvain, Belgium
(author)
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Fekete, AdamUCLouvain, Belgium; Kings Coll London, England
(author)
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Gopakumar, AbhijithNorthwestern Univ, IL 60208 USA
(author)
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Grazulis, SauliusVilnius Univ, Lithuania; Vilnius Univ, Lithuania
(author)
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Merkys, AndriusVilnius Univ, Lithuania
(author)
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Mohamed, FawziFritz Haber Inst Max Planck Gesell, Germany
(author)
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Oses, CoreyDuke Univ, NC 27708 USA; Duke Univ, NC 27708 USA
(author)
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Pizzi, GiovanniEcole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland
(author)
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Rignanese, Gian-MarcoUCLouvain, Belgium
(author)
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Scheidgen, MarkusFritz Haber Inst Max Planck Gesell, Germany; Humboldt Univ, Germany; Humboldt Univ, Germany
(author)
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Talirz, LeopoldEcole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland
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Toher, CormacDuke Univ, NC 27708 USA; Duke Univ, NC 27708 USA
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Winston, DonaldLawrence Berkeley Natl Lab, CA 94720 USA
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Aversa, RossellaCNR, Italy; Karlsruhe Inst Technol KIT, Germany
(author)
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Choudhary, KamalNatl Inst Stand & Technol, MD 20899 USA
(author)
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Colinet, PaulineDuke Univ, NC 27708 USA; Duke Univ, NC 27708 USA
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Curtarolo, StefanoDuke Univ, NC 27708 USA; Duke Univ, NC 27708 USA
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Di Stefano, DavideAnsys, England
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Draxl, ClaudiaHumboldt Univ, Germany; Humboldt Univ, Germany
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Er, SuleymanDutch Inst Fundamental Energy Res DIFFER, Netherlands
(author)
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Esters, MarcoDuke Univ, NC 27708 USA; Duke Univ, NC 27708 USA
(author)
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Fornari, MarcoDuke Univ, NC 27708 USA; Cent Michigan Univ, MI 48859 USA
(author)
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Giantomassi, MatteoUCLouvain, Belgium
(author)
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Govoni, MarcoArgonne Natl Lab, IL 60439 USA
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Hautier, GeoffroyUCLouvain, Belgium; Dartmouth Coll, NH 03755 USA
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Hegde, VinayNorthwestern Univ, IL 60208 USA
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Horton, Matthew K.Lawrence Berkeley Natl Lab, CA 94720 USA
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Huck, PatrickLawrence Berkeley Natl Lab, CA 94720 USA
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Huhs, GeorgHumboldt Univ, Germany; Humboldt Univ, Germany
(author)
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Hummelshoj, JensToyota Res Inst TRI, CA 94022 USA
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Kariryaa, AnkitUniv Copenhagen, Denmark
(author)
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Kozinsky, BorisHarvard Univ, MA 02138 USA; Robert Bosch LLC, MA 02142 USA
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Kumbhar, SnehalEcole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland
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Liu, MohanNorthwestern Univ, IL 60208 USA
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Marzari, NicolaEcole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland
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Morris, Andrew J.Univ Birmingham, England
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Mostofi, Arash A.Imperial Coll London, England; Imperial Coll London, England; Imperial Coll London, England
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Persson, Kristin A.Lawrence Berkeley Natl Lab, CA 94720 USA; Univ Calif Berkeley, CA 94720 USA
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Petretto, GuidoUCLouvain, Belgium
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Purcell, ThomasFritz Haber Inst Max Planck Gesell, Germany
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Ricci, FrancescoUCLouvain, Belgium
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Rose, FriscoDuke Univ, NC 27708 USA; Duke Univ, NC 27708 USA
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Scheffler, MatthiasFritz Haber Inst Max Planck Gesell, Germany
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Speckhard, DanielFritz Haber Inst Max Planck Gesell, Germany; Humboldt Univ, Germany; Humboldt Univ, Germany
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Uhrin, MartinEcole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, Switzerland
(author)
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Vaitkus, AntanasVilnius Univ, Lithuania
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Villars, PierreMat Platform Data Sci, Estonia
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Waroquiers, DavidUCLouvain, Belgium
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Wolverton, ChrisNorthwestern Univ, IL 60208 USA
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Wu, MichaelLawrence Berkeley Natl Lab, CA 94720 USA
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Yang, XiaoyuChinese Acad Sci, Peoples R China; Univ Chinese Acad Sci, Peoples R China
(author)
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Ecole Polytech Fed Lausanne, Switzerland; Ecole Polytech Fed Lausanne, SwitzerlandTeoretisk Fysik
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In:Scientific Data: Nature Portfolio8:12052-4463
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Andersen, Casper ...
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Armiento, Rickar ...
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Blokhin, Evgeny
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Conduit, Gareth ...
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Dwaraknath, Shya ...
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Evans, Matthew L ...
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Fekete, Adam
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Scheidgen, Marku ...
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Talirz, Leopold
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Toher, Cormac
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Colinet, Pauline
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Curtarolo, Stefa ...
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Fornari, Marco
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Govoni, Marco
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Marzari, Nicola
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Uhrin, Martin
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