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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: hein j. 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.
Self-driving laboratory for accelerated discovery of thin-film materials.
MacLeod BP, Parlane FGL, Morrissey TD, Häse F, Roch LM, Dettelbach KE, Moreira R, Yunker LPE, Rooney MB, Deeth JR, Lai V, Ng GJ, Situ H, Zhang RH, Elliott MS, Haley TH, Dvorak DJ, Aspuru-Guzik A, Hein JE, Berlinguette CP. MacLeod BP, et al. Among authors: hein je. Sci Adv. 2020 May 13;6(20):eaaz8867. doi: 10.1126/sciadv.aaz8867. eCollection 2020 May. Sci Adv. 2020. PMID: 32426501 Free PMC article.
ChemOS: Orchestrating autonomous experimentation.
Roch LM, Häse F, Kreisbeck C, Tamayo-Mendoza T, Yunker LPE, Hein JE, Aspuru-Guzik A. Roch LM, et al. Sci Robot. 2018 Jun 20;3(19):eaat5559. doi: 10.1126/scirobotics.aat5559. Sci Robot. 2018. PMID: 33141686 Review.
Data-science driven autonomous process optimization.
Christensen M, Yunker LPE, Adedeji F, Häse F, Roch LM, Gensch T, Dos Passos Gomes G, Zepel T, Sigman MS, Aspuru-Guzik A, Hein JE. Christensen M, et al. Commun Chem. 2021 Aug 2;4(1):112. doi: 10.1038/s42004-021-00550-x. Commun Chem. 2021. PMID: 36697524 Free PMC article.
A Revised Mechanism for the Kinugasa Reaction.
Malig TC, Yu D, Hein JE. Malig TC, et al. J Am Chem Soc. 2018 Jul 25;140(29):9167-9173. doi: 10.1021/jacs.8b04635. Epub 2018 Jul 16. J Am Chem Soc. 2018. PMID: 29966088
465 results