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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.
Best practices in machine learning for chemistry.
Artrith N, Butler KT, Coudert FX, Han S, Isayev O, Jain A, Walsh A. Artrith N, et al. Among authors: walsh a. Nat Chem. 2021 Jun;13(6):505-508. doi: 10.1038/s41557-021-00716-z. Nat Chem. 2021. PMID: 34059804 Free article. No abstract available.
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.
Performance-limiting nanoscale trap clusters at grain junctions in halide perovskites.
Doherty TAS, Winchester AJ, Macpherson S, Johnstone DN, Pareek V, Tennyson EM, Kosar S, Kosasih FU, Anaya M, Abdi-Jalebi M, Andaji-Garmaroudi Z, Wong EL, Madéo J, Chiang YH, Park JS, Jung YK, Petoukhoff CE, Divitini G, Man MKL, Ducati C, Walsh A, Midgley PA, Dani KM, Stranks SD. Doherty TAS, et al. Among authors: walsh a. Nature. 2020 Apr;580(7803):360-366. doi: 10.1038/s41586-020-2184-1. Epub 2020 Apr 15. Nature. 2020. PMID: 32296189
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.
Instilling defect tolerance in new compounds.
Walsh A, Zunger A. Walsh A, et al. Nat Mater. 2017 Sep 4. doi: 10.1038/nmat4973. Online ahead of print. Nat Mater. 2017. PMID: 28869612 Free article. No abstract available.
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.
Physical chemistry of hybrid perovskite solar cells.
Walsh A, Padure NP, Il Seok S. Walsh A, et al. Phys Chem Chem Phys. 2016 Oct 5;18(39):27024-27025. doi: 10.1039/c6cp90212j. Phys Chem Chem Phys. 2016. PMID: 27711750 Free article. No abstract available.
1,756 results