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Page 1
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: dwaraknath s. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 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: dwaraknath s. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 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: dwaraknath s. Sci Data. 2021 Jun 11;8(1):153. doi: 10.1038/s41597-021-00936-5. Sci Data. 2021. PMID: 34117266 Free PMC article.
A framework for quantifying uncertainty in DFT energy corrections.
Wang A, Kingsbury R, McDermott M, Horton M, Jain A, Ong SP, Dwaraknath S, Persson KA. Wang A, et al. Among authors: dwaraknath s. Sci Rep. 2021 Jul 29;11(1):15496. doi: 10.1038/s41598-021-94550-5. Sci Rep. 2021. PMID: 34326361 Free PMC article.
29 results