OPTIMADE, an API for exchanging materials data
Abstract 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...
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Nature Portfolio
2021
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oai:doaj.org-article:195f6a32cdad4e099318119238e9d9782021-12-02T18:50:51ZOPTIMADE, an API for exchanging materials data10.1038/s41597-021-00974-z2052-4463https://doaj.org/article/195f6a32cdad4e099318119238e9d9782021-08-01T00:00:00Zhttps://doi.org/10.1038/s41597-021-00974-zhttps://doaj.org/toc/2052-4463Abstract 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.Casper W. AndersenRickard ArmientoEvgeny BlokhinGareth J. ConduitShyam DwaraknathMatthew L. EvansÁdám FeketeAbhijith GopakumarSaulius GražulisAndrius MerkysFawzi MohamedCorey OsesGiovanni PizziGian-Marco RignaneseMarkus ScheidgenLeopold TalirzCormac ToherDonald WinstonRossella AversaKamal ChoudharyPauline ColinetStefano CurtaroloDavide Di StefanoClaudia DraxlSuleyman ErMarco EstersMarco FornariMatteo GiantomassiMarco GovoniGeoffroy HautierVinay HegdeMatthew K. HortonPatrick HuckGeorg HuhsJens HummelshøjAnkit KariryaaBoris KozinskySnehal KumbharMohan LiuNicola MarzariAndrew J. MorrisArash A. MostofiKristin A. PerssonGuido PetrettoThomas PurcellFrancesco RicciFrisco RoseMatthias SchefflerDaniel SpeckhardMartin UhrinAntanas VaitkusPierre VillarsDavid WaroquiersChris WolvertonMichael WuXiaoyu YangNature PortfolioarticleScienceQENScientific Data, Vol 8, Iss 1, Pp 1-10 (2021) |
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Science Q Casper W. Andersen Rickard Armiento Evgeny Blokhin Gareth J. Conduit Shyam Dwaraknath Matthew L. Evans Ádám Fekete Abhijith Gopakumar Saulius Gražulis Andrius Merkys Fawzi Mohamed Corey Oses Giovanni Pizzi Gian-Marco Rignanese Markus Scheidgen Leopold Talirz Cormac Toher Donald Winston Rossella Aversa Kamal Choudhary Pauline Colinet Stefano Curtarolo Davide Di Stefano Claudia Draxl Suleyman Er Marco Esters Marco Fornari Matteo Giantomassi Marco Govoni Geoffroy Hautier Vinay Hegde Matthew K. Horton Patrick Huck Georg Huhs Jens Hummelshøj Ankit Kariryaa Boris Kozinsky Snehal Kumbhar Mohan Liu Nicola Marzari Andrew J. Morris Arash A. Mostofi Kristin A. Persson Guido Petretto Thomas Purcell Francesco Ricci Frisco Rose Matthias Scheffler Daniel Speckhard Martin Uhrin Antanas Vaitkus Pierre Villars David Waroquiers Chris Wolverton Michael Wu Xiaoyu Yang OPTIMADE, an API for exchanging materials data |
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Abstract 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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author |
Casper W. Andersen Rickard Armiento Evgeny Blokhin Gareth J. Conduit Shyam Dwaraknath Matthew L. Evans Ádám Fekete Abhijith Gopakumar Saulius Gražulis Andrius Merkys Fawzi Mohamed Corey Oses Giovanni Pizzi Gian-Marco Rignanese Markus Scheidgen Leopold Talirz Cormac Toher Donald Winston Rossella Aversa Kamal Choudhary Pauline Colinet Stefano Curtarolo Davide Di Stefano Claudia Draxl Suleyman Er Marco Esters Marco Fornari Matteo Giantomassi Marco Govoni Geoffroy Hautier Vinay Hegde Matthew K. Horton Patrick Huck Georg Huhs Jens Hummelshøj Ankit Kariryaa Boris Kozinsky Snehal Kumbhar Mohan Liu Nicola Marzari Andrew J. Morris Arash A. Mostofi Kristin A. Persson Guido Petretto Thomas Purcell Francesco Ricci Frisco Rose Matthias Scheffler Daniel Speckhard Martin Uhrin Antanas Vaitkus Pierre Villars David Waroquiers Chris Wolverton Michael Wu Xiaoyu Yang |
author_facet |
Casper W. Andersen Rickard Armiento Evgeny Blokhin Gareth J. Conduit Shyam Dwaraknath Matthew L. Evans Ádám Fekete Abhijith Gopakumar Saulius Gražulis Andrius Merkys Fawzi Mohamed Corey Oses Giovanni Pizzi Gian-Marco Rignanese Markus Scheidgen Leopold Talirz Cormac Toher Donald Winston Rossella Aversa Kamal Choudhary Pauline Colinet Stefano Curtarolo Davide Di Stefano Claudia Draxl Suleyman Er Marco Esters Marco Fornari Matteo Giantomassi Marco Govoni Geoffroy Hautier Vinay Hegde Matthew K. Horton Patrick Huck Georg Huhs Jens Hummelshøj Ankit Kariryaa Boris Kozinsky Snehal Kumbhar Mohan Liu Nicola Marzari Andrew J. Morris Arash A. Mostofi Kristin A. Persson Guido Petretto Thomas Purcell Francesco Ricci Frisco Rose Matthias Scheffler Daniel Speckhard Martin Uhrin Antanas Vaitkus Pierre Villars David Waroquiers Chris Wolverton Michael Wu Xiaoyu Yang |
author_sort |
Casper W. Andersen |
title |
OPTIMADE, an API for exchanging materials data |
title_short |
OPTIMADE, an API for exchanging materials data |
title_full |
OPTIMADE, an API for exchanging materials data |
title_fullStr |
OPTIMADE, an API for exchanging materials data |
title_full_unstemmed |
OPTIMADE, an API for exchanging materials data |
title_sort |
optimade, an api for exchanging materials data |
publisher |
Nature Portfolio |
publishDate |
2021 |
url |
https://doaj.org/article/195f6a32cdad4e099318119238e9d978 |
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