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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Autores principales: 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
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Lenguaje:EN
Publicado: Nature Portfolio 2021
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spelling 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)
institution DOAJ
collection DOAJ
language EN
topic Science
Q
spellingShingle 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
description 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.
format article
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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