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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: horton mk. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
ChemEnv: a fast and robust coordination environment identification tool.
Waroquiers D, George J, Horton M, Schenk S, Persson KA, Rignanese GM, Gonze X, Hautier G. Waroquiers D, et al. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2020 Aug 1;76(Pt 4):683-695. doi: 10.1107/S2052520620007994. Epub 2020 Jul 21. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2020. PMID: 32831287 Free PMC article.
Database of ab initio L-edge X-ray absorption near edge structure.
Chen Y, Chen C, Zheng C, Dwaraknath S, Horton MK, Cabana J, Rehr J, Vinson J, Dozier A, Kas JJ, Persson KA, Ong SP. Chen Y, et al. Among authors: horton mk. Sci Data. 2021 Jun 11;8(1):153. doi: 10.1038/s41597-021-00936-5. Sci Data. 2021. PMID: 34117266 Free PMC article.
Expanding the Material Search Space for Multivalent Cathodes.
Rutt A, Shen JX, Horton M, Kim J, Lin J, Persson KA. Rutt A, et al. ACS Appl Mater Interfaces. 2022 Oct 5;14(39):44367-44376. doi: 10.1021/acsami.2c11733. Epub 2022 Sep 22. ACS Appl Mater Interfaces. 2022. PMID: 36137562 Free PMC article.
71 results