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Accelerated chemical science with AI.
Back S, Aspuru-Guzik A, Ceriotti M, Gryn'ova G, Grzybowski B, Gu GH, Hein J, Hippalgaonkar K, Hormázabal R, Jung Y, Kim S, Kim WY, Moosavi SM, Noh J, Park C, Schrier J, Schwaller P, Tsuda K, Vegge T, von Lilienfeld OA, Walsh A. Back S, et al. Among authors: walsh a. Digit Discov. 2023 Dec 6;3(1):23-33. doi: 10.1039/d3dd00213f. eCollection 2024 Jan 17. Digit Discov. 2023. PMID: 38239898 Free PMC article. Review.
Machine learning for molecular and materials science.
Butler KT, Davies DW, Cartwright H, Isayev O, Walsh A. Butler KT, et al. Among authors: walsh a. Nature. 2018 Jul;559(7715):547-555. doi: 10.1038/s41586-018-0337-2. Epub 2018 Jul 25. Nature. 2018. PMID: 30046072 Free article. Review.
Open computational materials science.
Walsh A. Walsh A. Nat Mater. 2024 Jan;23(1):16-17. doi: 10.1038/s41563-023-01699-7. Nat Mater. 2024. PMID: 38172540 No abstract available.
Charting a course for chemistry.
Aspuru-Guzik A, Baik MH, Balasubramanian S, Banerjee R, Bart S, Borduas-Dedekind N, Chang S, Chen P, Corminboeuf C, Coudert FX, Cronin L, Crudden C, Cuk T, Doyle AG, Fan C, Feng X, Freedman D, Furukawa S, Ghosh S, Glorius F, Jeffries-El M, Katsonis N, Li A, Linse SS, Marchesan S, Maulide N, Milo A, Narayan ARH, Naumov P, Nevado C, Nyokong T, Palacin R, Reid M, Robinson C, Robinson G, Sarpong R, Schindler C, Schlau-Cohen GS, Schmidt TW, Sessoli R, Shao-Horn Y, Sleiman H, Sutherland J, Taylor A, Tezcan A, Tortosa M, Walsh A, Watson AJB, Weckhuysen BM, Weiss E, Wilson D, Yam VW, Yang X, Ying JY, Yoon T, You SL, Zarbin AJG, Zhang H. Aspuru-Guzik A, et al. Among authors: walsh a. Nat Chem. 2019 Apr;11(4):286-294. doi: 10.1038/s41557-019-0236-7. Nat Chem. 2019. PMID: 30903035 Free article. No abstract available.
Accessible chemical space for metal nitride perovskites.
Grosso BF, Davies DW, Zhu B, Walsh A, Scanlon DO. Grosso BF, et al. Among authors: walsh a. Chem Sci. 2023 Aug 15;14(34):9175-9185. doi: 10.1039/d3sc02171h. eCollection 2023 Aug 30. Chem Sci. 2023. PMID: 37655035 Free PMC article.
Searching for the Rules of Electrochemical Nitrogen Fixation.
Tort R, Bagger A, Westhead O, Kondo Y, Khobnya A, Winiwarter A, Davies BJV, Walsh A, Katayama Y, Yamada Y, Ryan MP, Titirici MM, Stephens IEL. Tort R, et al. Among authors: walsh a. ACS Catal. 2023 Nov 2;13(22):14513-14522. doi: 10.1021/acscatal.3c03951. eCollection 2023 Nov 17. ACS Catal. 2023. PMID: 38026818 Free PMC article.
1,754 results