OPTIMADE, an API for exchanging materials data /

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

doi:10.1038/s41597-021-00974-z

Title	OPTIMADE, an API for exchanging materials data /
Authors	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 ; Choudhary, Kamal ; Colinet, Pauline ; Curtarolo, Stefano ; Di Stefano, Davide ; Draxl, Claudia ; Er, Suleyman ; Esters, Marco ; Fornari, Marco ; Giantomassi, Matteo ; Govoni, Marco ; Hautier, Geoffroy ; Hegde, Vinay ; Horton, Matthew K ; Huck, Patrick ; Huhs, Georg ; Hummelshøj, Jens ; Kariryaa, Ankit ; Kozinsky, Boris ; Kumbhar, Snehal ; Liu, Mohan ; Marzari, Nicola ; Morris, Andrew J ; Mostofi, Arash A ; Persson, Kristin A ; Petretto, Guido ; Purcell, Thomas ; Ricci, Francesco ; Rose, Frisco ; Scheffler, Matthias ; Speckhard, Daniel ; Uhrin, Martin ; Vaitkus, Antanas ; Villars, Pierre ; Waroquiers, David ; Wolverton, Chris ; Wu, Michael ; Yang, Xiaoyu
DOI	10.1038/s41597-021-00974-z
Full Text
Is Part of	Scientific data.. Berlin : Nature Publishing Groups. 2021, vol. 8, no. 1, art. no. 217, p. [1-10].. eISSN 2052-4463
Abstract [eng]	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.
Published	Berlin : Nature Publishing Groups
Type	Journal article
Language	English
Publication date	2021
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„OPTIMADE, an API for exchanging materials data /“