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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: andersen cw. 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.
Increased Bone Volume by Ixazomib in Multiple Myeloma: 3-Month Results from an Open Label Phase 2 Study.
Diaz-delCastillo M, Gundesen MT, Andersen CW, Nielsen AL, Møller HEH, Vinholt PJ, Asmussen JT, Kristensen IB, Nyvold CG, Abildgaard N, Levin Andersen T, Lund T. Diaz-delCastillo M, et al. Among authors: andersen cw. J Bone Miner Res. 2023 May;38(5):639-649. doi: 10.1002/jbmr.4807. Epub 2023 Apr 12. J Bone Miner Res. 2023. PMID: 36970780 Free article. Clinical Trial.
Insights into the quantification and reporting of model-related uncertainty across different disciplines.
Simmonds EG, Adjei KP, Andersen CW, Hetle Aspheim JC, Battistin C, Bulso N, Christensen HM, Cretois B, Cubero R, Davidovich IA, Dickel L, Dunn B, Dunn-Sigouin E, Dyrstad K, Einum S, Giglio D, Gjerløw H, Godefroidt A, González-Gil R, Gonzalo Cogno S, Große F, Halloran P, Jensen MF, Kennedy JJ, Langsæther PE, Laverick JH, Lederberger D, Li C, Mandeville EG, Mandeville C, Moe E, Navarro Schröder T, Nunan D, Sicacha-Parada J, Simpson MR, Skarstein ES, Spensberger C, Stevens R, Subramanian AC, Svendsen L, Theisen OM, Watret C, O'Hara RB. Simmonds EG, et al. Among authors: andersen cw. iScience. 2022 Nov 5;25(12):105512. doi: 10.1016/j.isci.2022.105512. eCollection 2022 Dec 22. iScience. 2022. PMID: 36465136 Free PMC article. Review.
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. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
Materials Cloud, a platform for open computational science.
Talirz L, Kumbhar S, Passaro E, Yakutovich AV, Granata V, Gargiulo F, Borelli M, Uhrin M, Huber SP, Zoupanos S, Adorf CS, Andersen CW, Schütt O, Pignedoli CA, Passerone D, VandeVondele J, Schulthess TC, Smit B, Pizzi G, Marzari N. Talirz L, et al. Among authors: andersen cw. Sci Data. 2020 Sep 8;7(1):299. doi: 10.1038/s41597-020-00637-5. Sci Data. 2020. PMID: 32901046 Free PMC article.
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.
Huber SP, Zoupanos S, Uhrin M, Talirz L, Kahle L, Häuselmann R, Gresch D, Müller T, Yakutovich AV, Andersen CW, Ramirez FF, Adorf CS, Gargiulo F, Kumbhar S, Passaro E, Johnston C, Merkys A, Cepellotti A, Mounet N, Marzari N, Kozinsky B, Pizzi G. Huber SP, et al. Among authors: andersen cw. Sci Data. 2020 Sep 8;7(1):300. doi: 10.1038/s41597-020-00638-4. Sci Data. 2020. PMID: 32901044 Free PMC article.
17 results