OPTIMADE, an API for exchanging materials data
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
1;
1; 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.
| Zugehörige Institution(en) am KIT | Scientific Computing Center (SCC) Universität Karlsruhe (TH) – Zentrale Einrichtungen (Zentrale Einrichtungen) |
| Publikationstyp | Zeitschriftenaufsatz |
| Publikationsmonat/-jahr | 12.2021 |
| Sprache | Englisch |
| Identifikator | ISSN: 2052-4463 KITopen-ID: 1000137121 |
| HGF-Programm | 46.21.01 (POF IV, LK 01) Domain-Specific Simulation & SDLs and Research Groups |
| Erschienen in | Scientific data |
| Verlag | Nature Research |
| Band | 8 |
| Heft | 1 |
| Seiten | Art.-Nr.: 217 |
| Vorab online veröffentlicht am | 12.08.2021 |
| Nachgewiesen in | Scopus Dimensions Web of Science |