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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: esters m. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
Entropy Landscaping of High-Entropy Carbides.
Hossain MD, Borman T, Oses C, Esters M, Toher C, Feng L, Kumar A, Fahrenholtz WG, Curtarolo S, Brenner D, LeBeau JM, Maria JP. Hossain MD, et al. Among authors: esters m. Adv Mater. 2021 Oct;33(42):e2102904. doi: 10.1002/adma.202102904. Epub 2021 Sep 2. Adv Mater. 2021. PMID: 34476849
Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
George J, Petretto G, Naik A, Esters M, Jackson AJ, Nelson R, Dronskowski R, Rignanese GM, Hautier G. George J, et al. Among authors: esters m. Chempluschem. 2022 Jun 7;87(11):e202200123. doi: 10.1002/cplu.202200123. Online ahead of print. Chempluschem. 2022. PMID: 35762686
Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
George J, Petretto G, Naik A, Esters M, Jackson AJ, Nelson R, Dronskowski R, Rignanese GM, Hautier G. George J, et al. Among authors: esters m. Chempluschem. 2022 Nov;87(11):e202200246. doi: 10.1002/cplu.202200246. Epub 2022 Aug 10. Chempluschem. 2022. PMID: 35946984
Plasmonic high-entropy carbides.
Calzolari A, Oses C, Toher C, Esters M, Campilongo X, Stepanoff SP, Wolfe DE, Curtarolo S. Calzolari A, et al. Among authors: esters m. Nat Commun. 2022 Oct 11;13(1):5993. doi: 10.1038/s41467-022-33497-1. Nat Commun. 2022. PMID: 36220810 Free PMC article.
Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery.
Divilov S, Eckert H, Hicks D, Oses C, Toher C, Friedrich R, Esters M, Mehl MJ, Zettel AC, Lederer Y, Zurek E, Maria JP, Brenner DW, Campilongo X, Filipović S, Fahrenholtz WG, Ryan CJ, DeSalle CM, Crealese RJ, Wolfe DE, Calzolari A, Curtarolo S. Divilov S, et al. Among authors: esters m. Nature. 2024 Jan;625(7993):66-73. doi: 10.1038/s41586-023-06786-y. Epub 2024 Jan 3. Nature. 2024. PMID: 38172364 Free PMC article.
Discovery of Cu3Pb.
Tamerius AD, Clarke SM, Gu M, Walsh JPS, Esters M, Meng Y, Hendon CH, Rondinelli JM, Jacobsen SD, Freedman DE. Tamerius AD, et al. Among authors: esters m. Angew Chem Int Ed Engl. 2018 Sep 24;57(39):12809-12813. doi: 10.1002/anie.201807934. Epub 2018 Sep 4. Angew Chem Int Ed Engl. 2018. PMID: 30252191
16 results