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

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OPTIMADE, an API for exchanging materials data

2021

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
et al.

Published Web Location

https://doi.org/10.1038/s41597-021-00974-z

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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Lawrence Berkeley National Laboratory

OPTIMADE, an API for exchanging materials data

Published Web Location