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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: pizzi g. 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: pizzi g. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
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: pizzi g. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 Free PMC article.
Shear and Breathing Modes of Layered Materials.
Pizzi G, Milana S, Ferrari AC, Marzari N, Gibertini M. Pizzi G, et al. ACS Nano. 2021 Aug 24;15(8):12509-12534. doi: 10.1021/acsnano.0c10672. Epub 2021 Aug 9. ACS Nano. 2021. PMID: 34370440 Free PMC article. Review.
Expansion of the Materials Cloud 2D Database.
Campi D, Mounet N, Gibertini M, Pizzi G, Marzari N. Campi D, et al. Among authors: pizzi g. ACS Nano. 2023 Jun 27;17(12):11268-11278. doi: 10.1021/acsnano.2c11510. Epub 2023 Jun 13. ACS Nano. 2023. PMID: 37310789 Free PMC article.
Valley-Engineering Mobilities in Two-Dimensional Materials.
Sohier T, Gibertini M, Campi D, Pizzi G, Marzari N. Sohier T, et al. Among authors: pizzi g. Nano Lett. 2019 Jun 12;19(6):3723-3729. doi: 10.1021/acs.nanolett.9b00865. Epub 2019 May 16. Nano Lett. 2019. PMID: 31083949
116 results