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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: hummelshoj j. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
Network analysis of synthesizable materials discovery.
Aykol M, Hegde VI, Hung L, Suram S, Herring P, Wolverton C, Hummelshøj JS. Aykol M, et al. Among authors: hummelshoj js. Nat Commun. 2019 May 1;10(1):2018. doi: 10.1038/s41467-019-10030-5. Nat Commun. 2019. PMID: 31043603 Free PMC article.
Agents for sequential learning using multiple-fidelity data.
Palizhati A, Torrisi SB, Aykol M, Suram SK, Hummelshøj JS, Montoya JH. Palizhati A, et al. Among authors: hummelshoj js. Sci Rep. 2022 Mar 18;12(1):4694. doi: 10.1038/s41598-022-08413-8. Sci Rep. 2022. PMID: 35304496 Free PMC article.
Autonomous intelligent agents for accelerated materials discovery.
Montoya JH, Winther KT, Flores RA, Bligaard T, Hummelshøj JS, Aykol M. Montoya JH, et al. Among authors: hummelshoj js. Chem Sci. 2020 Jul 30;11(32):8517-8532. doi: 10.1039/d0sc01101k. Chem Sci. 2020. PMID: 34123112 Free PMC article.
Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.
Hummelshøj JS, Landis DD, Voss J, Jiang T, Tekin A, Bork N, Dułak M, Mortensen JJ, Adamska L, Andersin J, Baran JD, Barmparis GD, Bell F, Bezanilla AL, Bjork J, Björketun ME, Bleken F, Buchter F, Bürkle M, Burton PD, Buus BB, Calborean A, Calle-Vallejo F, Casolo S, Chandler BD, Chi DH, Czekaj I, Datta S, Datye A, DeLaRiva A, Despoja V, Dobrin S, Engelund M, Ferrighi L, Frondelius P, Fu Q, Fuentes A, Fürst J, García-Fuente A, Gavnholt J, Goeke R, Gudmundsdottir S, Hammond KD, Hansen HA, Hibbitts D, Hobi E Jr, Howalt JG, Hruby SL, Huth A, Isaeva L, Jelic J, Jensen IJ, Kacprzak KA, Kelkkanen A, Kelsey D, Kesanakurthi DS, Kleis J, Klüpfel PJ, Konstantinov I, Korytar R, Koskinen P, Krishna C, Kunkes E, Larsen AH, Lastra JM, Lin H, Lopez-Acevedo O, Mantega M, Martínez JI, Mesa IN, Mowbray DJ, Mýrdal JS, Natanzon Y, Nistor A, Olsen T, Park H, Pedroza LS, Petzold V, Plaisance C, Rasmussen JA, Ren H, Rizzi M, Ronco AS, Rostgaard C, Saadi S, Salguero LA, Santos EJ, Schoenhalz AL, Shen J, Smedemand M, Stausholm-Møller OJ, Stibius M, Strange M, Su HB, Temel B, Toftelund A, Tripkovic V, Vanin M, Viswanathan V, Vojvodic A, Wang S, Wellendorff J, Thygesen KS, Rossmeisl J, Bligaard T, Jaco… See abstract for full author list ➔ Hummelshøj JS, et al. J Chem Phys. 2009 Jul 7;131(1):014101. doi: 10.1063/1.3148892. J Chem Phys. 2009. PMID: 19586090 Free article.
First principles investigation of zinc-anode dissolution in zinc-air batteries.
Siahrostami S, Tripković V, Lundgaard KT, Jensen KE, Hansen HA, Hummelshøj JS, Mýrdal JS, Vegge T, Nørskov JK, Rossmeisl J. Siahrostami S, et al. Among authors: hummelshoj js. Phys Chem Chem Phys. 2013 May 7;15(17):6416-21. doi: 10.1039/c3cp50349f. Phys Chem Chem Phys. 2013. PMID: 23525197 Free article.
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