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On-the-fly closed-loop materials discovery via Bayesian active learning.
Kusne AG, Yu H, Wu C, Zhang H, Hattrick-Simpers J, DeCost B, Sarker S, Oses C, Toher C, Curtarolo S, Davydov AV, Agarwal R, Bendersky LA, Li M, Mehta A, Takeuchi I. Kusne AG, et al. Among authors: curtarolo s. Nat Commun. 2020 Nov 24;11(1):5966. doi: 10.1038/s41467-020-19597-w. Nat Commun. 2020. PMID: 33235197 Free PMC article.
Charting the complete elastic properties of inorganic crystalline compounds.
de Jong M, Chen W, Angsten T, Jain A, Notestine R, Gamst A, Sluiter M, Krishna Ande C, van der Zwaag S, Plata JJ, Toher C, Curtarolo S, Ceder G, Persson KA, Asta M. de Jong M, et al. Among authors: curtarolo s. Sci Data. 2015 Mar 17;2:150009. doi: 10.1038/sdata.2015.9. eCollection 2015. Sci Data. 2015. PMID: 25984348 Free PMC article.
Accelerated discovery of new magnets in the Heusler alloy family.
Sanvito S, Oses C, Xue J, Tiwari A, Zic M, Archer T, Tozman P, Venkatesan M, Coey M, Curtarolo S. Sanvito S, et al. Among authors: curtarolo s. Sci Adv. 2017 Apr 14;3(4):e1602241. doi: 10.1126/sciadv.1602241. eCollection 2017 Apr. Sci Adv. 2017. PMID: 28439545 Free PMC article.
AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis.
Oses C, Gossett E, Hicks D, Rose F, Mehl MJ, Perim E, Takeuchi I, Sanvito S, Scheffler M, Lederer Y, Levy O, Toher C, Curtarolo S. Oses C, et al. Among authors: curtarolo s. J Chem Inf Model. 2018 Dec 24;58(12):2477-2490. doi: 10.1021/acs.jcim.8b00393. Epub 2018 Oct 9. J Chem Inf Model. 2018. PMID: 30188699
57 results