Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

Matthew L. Evans, Johan Bergsma, Andrius Merkys, Casper W. Andersen, Oskar B. Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M. Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M. Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F. T. Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A. L. Marques, Nicola Marzari, Andrew J. Morris, Shyue Ping Ong, Modesto Orozco, Kristin A. Persson, Kristian S. Thygesen, Chris Wolverton, Markus Scheidgen, Cormac Toher, Gareth J. Conduit, Giovanni Pizzi, Saulius Gražulis, Gian-Marco Rignanese, Rickard Armiento

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DOI: 10.1039/d4dd00039k
Published: 2024
Container: Digital Discovery
Publisher: Royal Society of Chemistry (RSC)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1039/d4dd00039k,
title = {Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange},
author = {Matthew L. Evans and Johan Bergsma and Andrius Merkys and Casper W. Andersen and Oskar B. Andersson and Daniel Beltrán and Evgeny Blokhin and Tara M. Boland and Rubén Castañeda Balderas and Kamal Choudhary and Alberto Díaz Díaz and Rodrigo Domínguez García and Hagen Eckert and Kristjan Eimre and María Elena Fuentes Montero and Adam M. Krajewski and Jens Jørgen Mortensen and José Manuel Nápoles Duarte and Jacob Pietryga and Ji Qi and Felipe de Jesús Trejo Carrillo and Antanas Vaitkus and Jusong Yu and Adam Zettel and Pedro Baptista de Castro and Johan Carlsson and Tiago F. T. Cerqueira and Simon Divilov and Hamidreza Hajiyani and Felix Hanke and Kevin Jose and Corey Oses and Janosh Riebesell and Jonathan Schmidt and Donald Winston and Christen Xie and Xiaoyu Yang and Sara Bonella and Silvana Botti and Stefano Curtarolo and Claudia Draxl and Luis Edmundo Fuentes Cobas and Adam Hospital and Zi-Kui Liu and Miguel A. L. Marques and Nicola Marzari and Andrew J. Morris and Shyue Ping Ong and Modesto Orozco and Kristin A. Persson and Kristian S. Thygesen and Chris Wolverton and Markus Scheidgen and Cormac Toher and Gareth J. Conduit and Giovanni Pizzi and Saulius Gražulis and Gian-Marco Rignanese and Rickard Armiento},
year = {2024},
journal = {Digital Discovery},
doi = {10.1039/d4dd00039k},
url = {https://doi.org/10.1039/d4dd00039k}
}

RIS

TY  - JOUR
TI  - Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
AU  - Matthew L. Evans
AU  - Johan Bergsma
AU  - Andrius Merkys
AU  - Casper W. Andersen
AU  - Oskar B. Andersson
AU  - Daniel Beltrán
AU  - Evgeny Blokhin
AU  - Tara M. Boland
AU  - Rubén Castañeda Balderas
AU  - Kamal Choudhary
AU  - Alberto Díaz Díaz
AU  - Rodrigo Domínguez García
AU  - Hagen Eckert
AU  - Kristjan Eimre
AU  - María Elena Fuentes Montero
AU  - Adam M. Krajewski
AU  - Jens Jørgen Mortensen
AU  - José Manuel Nápoles Duarte
AU  - Jacob Pietryga
AU  - Ji Qi
AU  - Felipe de Jesús Trejo Carrillo
AU  - Antanas Vaitkus
AU  - Jusong Yu
AU  - Adam Zettel
AU  - Pedro Baptista de Castro
AU  - Johan Carlsson
AU  - Tiago F. T. Cerqueira
AU  - Simon Divilov
AU  - Hamidreza Hajiyani
AU  - Felix Hanke
AU  - Kevin Jose
AU  - Corey Oses
AU  - Janosh Riebesell
AU  - Jonathan Schmidt
AU  - Donald Winston
AU  - Christen Xie
AU  - Xiaoyu Yang
AU  - Sara Bonella
AU  - Silvana Botti
AU  - Stefano Curtarolo
AU  - Claudia Draxl
AU  - Luis Edmundo Fuentes Cobas
AU  - Adam Hospital
AU  - Zi-Kui Liu
AU  - Miguel A. L. Marques
AU  - Nicola Marzari
AU  - Andrew J. Morris
AU  - Shyue Ping Ong
AU  - Modesto Orozco
AU  - Kristin A. Persson
AU  - Kristian S. Thygesen
AU  - Chris Wolverton
AU  - Markus Scheidgen
AU  - Cormac Toher
AU  - Gareth J. Conduit
AU  - Giovanni Pizzi
AU  - Saulius Gražulis
AU  - Gian-Marco Rignanese
AU  - Rickard Armiento
PY  - 2024
JO  - Digital Discovery
DO  - 10.1039/d4dd00039k
UR  - https://doi.org/10.1039/d4dd00039k
ER  -

APA

Evans, M. L., Bergsma, J., Merkys, A., Andersen, C. W., Andersson, O. B., Beltrán, D., Blokhin, E., Boland, T. M., Balderas, R. C., Choudhary, K., Díaz, A. D., García, R. D., Eckert, H., Eimre, K., Montero, M. E. F., Krajewski, A. M., Mortensen, J. J., Duarte, J. M. N., Pietryga, J., Qi, J., Carrillo, F. D. J. T., Vaitkus, A., Yu, J., Zettel, A., Castro, P. B. D., Carlsson, J., Cerqueira, T. F. T., Divilov, S., Hajiyani, H., Hanke, F., Jose, K., Oses, C., Riebesell, J., Schmidt, J., Winston, D., Xie, C., Yang, X., Bonella, S., Botti, S., Curtarolo, S., Draxl, C., Cobas, L. E. F., Hospital, A., Liu, Z., Marques, M. A. L., Marzari, N., Morris, A. J., Ong, S. P., Orozco, M., Persson, K. A., Thygesen, K. S., Wolverton, C., Scheidgen, M., Toher, C., Conduit, G. J., Pizzi, G., Gražulis, S., Rignanese, G., & Armiento, R. (2024). Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital Discovery. https://doi.org/10.1039/d4dd00039k

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crossref · retrieved 2026-09-26T18:16:24.722Z