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Page 1
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.
Evans ML, Bergsma J, Merkys A, Andersen CW, Andersson OB, Beltrán D, Blokhin E, Boland TM, Castañeda Balderas R, Choudhary K, Díaz Díaz A, Domínguez García R, Eckert H, Eimre K, Fuentes Montero ME, Krajewski AM, Mortensen JJ, Nápoles Duarte JM, Pietryga J, Qi J, Trejo Carrillo FJ, Vaitkus A, Yu J, Zettel A, de Castro PB, Carlsson J, Cerqueira TFT, 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, Fuentes Cobas LE, Hospital A, Liu ZK, Marques MAL, Marzari N, Morris AJ, Ong SP, Orozco M, Persson KA, Thygesen KS, Wolverton C, Scheidgen M, Toher C, Conduit GJ, Pizzi G, Gražulis S, Rignanese GM, Armiento R. Evans ML, et al. Among authors: curtarolo s. Digit Discov. 2024 Apr 18;3(8):1509-1533. doi: 10.1039/d4dd00039k. eCollection 2024 Aug 7. Digit Discov. 2024. PMID: 39118978 Free PMC article.
OPTIMADE, an API for exchanging materials data.
Andersen CW, Armiento R, Blokhin E, Conduit GJ, Dwaraknath S, Evans ML, Fekete Á, Gopakumar A, Gražulis S, Merkys A, Mohamed F, Oses C, Pizzi G, Rignanese GM, Scheidgen M, Talirz L, Toher C, Winston D, Aversa R, Choudhary K, Colinet P, Curtarolo S, Di Stefano D, Draxl C, Er S, Esters M, Fornari M, Giantomassi M, Govoni M, Hautier G, Hegde V, Horton MK, Huck P, Huhs G, Hummelshøj J, Kariryaa A, Kozinsky B, Kumbhar S, Liu M, Marzari N, Morris AJ, Mostofi AA, Persson KA, Petretto G, Purcell T, Ricci F, Rose F, Scheffler M, Speckhard D, Uhrin M, Vaitkus A, Villars P, Waroquiers D, Wolverton C, Wu M, Yang X. Andersen CW, et al. Among authors: curtarolo s. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
Materials design for hypersonics.
Peters AB, Zhang D, Chen S, Ott C, Oses C, Curtarolo S, McCue I, Pollock TM, Eswarappa Prameela S. Peters AB, et al. Among authors: curtarolo s. Nat Commun. 2024 Apr 18;15(1):3328. doi: 10.1038/s41467-024-46753-3. Nat Commun. 2024. PMID: 38637517 Free PMC article. Review.
Shared metadata for data-centric materials science.
Ghiringhelli LM, Baldauf C, Bereau T, Brockhauser S, Carbogno C, Chamanara J, Cozzini S, Curtarolo S, Draxl C, Dwaraknath S, Fekete Á, Kermode J, Koch CT, Kühbach M, Ladines AN, Lambrix P, Himmer MO, Levchenko SV, Oliveira M, Michalchuk A, Miller RE, Onat B, Pavone P, Pizzi G, Regler B, Rignanese GM, Schaarschmidt J, Scheidgen M, Schneidewind A, Sheveleva T, Su C, Usvyat D, Valsson O, Wöll C, Scheffler M. Ghiringhelli LM, et al. Among authors: curtarolo s. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 Free PMC article.
Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery.
Divilov S, Eckert H, Hicks D, Oses C, Toher C, Friedrich R, Esters M, Mehl MJ, Zettel AC, Lederer Y, Zurek E, Maria JP, Brenner DW, Campilongo X, Filipović S, Fahrenholtz WG, Ryan CJ, DeSalle CM, Crealese RJ, Wolfe DE, Calzolari A, Curtarolo S. Divilov S, et al. Among authors: curtarolo s. Nature. 2024 Jan;625(7993):66-73. doi: 10.1038/s41586-023-06786-y. Epub 2024 Jan 3. Nature. 2024. PMID: 38172364 Free PMC article.
On-the-fly closed-loop materials discovery via Bayesian active learning.
Kusne AG, Yu H, Wu C, Zhang H, Hattrick-Simpers J, DeCost B, Sarker S, Oses C, Toher C, Curtarolo S, Davydov AV, Agarwal R, Bendersky LA, Li M, Mehta A, Takeuchi I. Kusne AG, et al. Among authors: curtarolo s. Nat Commun. 2020 Nov 24;11(1):5966. doi: 10.1038/s41467-020-19597-w. Nat Commun. 2020. PMID: 33235197 Free PMC article.
Plasmonic high-entropy carbides.
Calzolari A, Oses C, Toher C, Esters M, Campilongo X, Stepanoff SP, Wolfe DE, Curtarolo S. Calzolari A, et al. Among authors: curtarolo s. Nat Commun. 2022 Oct 11;13(1):5993. doi: 10.1038/s41467-022-33497-1. Nat Commun. 2022. PMID: 36220810 Free PMC article.
58 results