Year: 2021
Type: data-paper
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.
Source: Scientific Data
Authors: 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
Institutions: École Polytechnique Fédérale de Lausanne, Linköping University, Tallinn University of Technology, University of Cambridge, Lawrence Berkeley National Laboratory, UCLouvain, King's College London, Northwestern University, Vilnius University, Fritz Haber Institute of the Max Planck Society, Duke University, Humboldt-Universität zu Berlin, Karlsruhe Institute of Technology, Istituto Officina dei Materiali, National Research Council, National Institute of Standards and Technology, Material Measurement Laboratory, Ansys (United Kingdom), Dutch Institute for Fundamental Energy Research, Central Michigan University, Argonne National Laboratory, Dartmouth College, Toyota Research Institute, University of Copenhagen, Harvard University, Robert Bosch (United States), University of Birmingham, Thomas Young Centre, Imperial College London, University of California, Berkeley, Chinese Academy of Sciences, Computer Network Information Center, University of Chinese Academy of Sciences
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,990
Funders: National Science Foundation, U.S. Department of Defense, U.S. Department of Energy, U.S. Department of Commerce, Toyota Research Institute, Swedish e-Science Research Centre, Midwest Integrated Center for Computational Materials, Royal Society, Research Councils UK, European Commission, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Fonds De La Recherche Scientifique - FNRS, Nederlandse Organisatie voor Wetenschappelijk Onderzoek, Vetenskapsrådet, Lorentz Center, National Institute of Standards and Technology, Office of Science, Horizon 2020 Framework Programme, Engineering and Physical Sciences Research Council, National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials, National Key Research and Development Program of China, Office of Naval Research, Division of Materials Research, Basic Energy Sciences, Center for Hierarchical Materials Design
Awards: G1149368660, G1226538766, G1286236842, G1286251239, MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design, G1314375578, NANOSCIENCE FOUNDRIES AND FINE ANALYSIS - EUROPE, G1445641779, G1595828538, G163900736, G1676583131, Machine Learning for the Electronic Structure of Bulk Crystalline Materials and Beyond, Sonic Drilling coupled with Automated Mineralogy and chemistry On-Line-On-Mine-Real-Time, G1771232688, G1816284028, G1863003419, SYNERGETIC EFFORTS IN AUTOMATIC ACCELERATED MATERIALS DESIGN, G219298435, G2300054171, Support for the UKCP consortium, G30714459, G3188738659, G365575497, G3977830223, G4028632349, EPSRC Centre for Doctoral Training in Computational Methods for Materials Science, G4174271265, G419881185, G4255765125, G42916606, G434337789, G4504108201, G4692201300, Dopant Effects on Li-ion cathode aging, G4937468798, G498139845, G5023180717, G5045220161, Novel Materials Discovery, Multi-scale Energy Materials Modelling, G5169111516, NCCR MARVEL: Materials’ Revolution: Computational Design and Discovery of Novel Materials (phase II), G5285641510, G5490804116, G5695486306, G5704346352, G5724895686, CCP on Computational Electronic Structure of Condensed Matter (CCP9), G5849692847, Materials Modelling Marketplace for Increased Industrial Innovation, ADVANCED MATERIALS CENTER OF EXCELLENCE, G6349058060, G6492680029, G650090426, DMREF: Collaborative Research: GOALI: Accelerating Discovery of High Entropy Silicates for Extreme Environments, G6563589624, DISORDER AS THE DISCOVERY ENABLER FOR TRANSITION-METAL MIXED-ANION MATERIALS, Collaborative Computational Project in NMR Crystallography, G7137499191, G7156752188, G7586915620, G7599652307, G7683173245, G798232795, G8022341855, G8188878238, Semi-Local Density Functional for Accurate Point Defect Properties in Silicon Carbide and Other Materials, The Novel Materials Discovery Laboratory, Computational design of new hybrid photocatalysts for solar fuel generation, G8821370211, G8876996369, G969889393
OpenAlex ID: W3134045958