OPTIMADE, an API for exchanging materials data

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 lead...

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Autores principales: 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
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8361091/
https://www.ncbi.nlm.nih.gov/pubmed/34385453
http://dx.doi.org/10.1038/s41597-021-00974-z
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author 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
author_facet 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
author_sort Andersen, Casper W.
collection PubMed
description 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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spelling pubmed-83610912021-08-19 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 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 Sci Data Article 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. Nature Publishing Group UK 2021-08-12 /pmc/articles/PMC8361091/ /pubmed/34385453 http://dx.doi.org/10.1038/s41597-021-00974-z Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
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
OPTIMADE, an API for exchanging materials data
title OPTIMADE, an API for exchanging materials data
title_full OPTIMADE, an API for exchanging materials data
title_fullStr OPTIMADE, an API for exchanging materials data
title_full_unstemmed OPTIMADE, an API for exchanging materials data
title_short OPTIMADE, an API for exchanging materials data
title_sort optimade, an api for exchanging materials data
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8361091/
https://www.ncbi.nlm.nih.gov/pubmed/34385453
http://dx.doi.org/10.1038/s41597-021-00974-z
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