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OPTIMADE, an API for exchanging materials data

Authors :
UCL - SST/IMCN/MODL - Modelling
Andersen, Casper W.
Armiento, Rickard
Blokhin, Evgeny
Conduit, Gareth J.
Dwaraknath, Shyam
Evans, Matthew
Fekete, Adam
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
UCL - SST/IMCN/MODL - Modelling
Andersen, Casper W.
Armiento, Rickard
Blokhin, Evgeny
Conduit, Gareth J.
Dwaraknath, Shyam
Evans, Matthew
Fekete, Adam
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
Source :
Scientific Data, Vol. 8, no.1, p. - (2021)
Publication Year :
2021

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.

Details

Database :
OAIster
Journal :
Scientific Data, Vol. 8, no.1, p. - (2021)
Notes :
English
Publication Type :
Electronic Resource
Accession number :
edsoai.on1288278530
Document Type :
Electronic Resource