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Showing results for von lilienfeld o
Search for von Lilienfeld M instead (1 results)
Alchemical geometry relaxation.
Domenichini G, von Lilienfeld OA. Domenichini G, et al. Among authors: von lilienfeld oa. J Chem Phys. 2022 May 14;156(18):184801. doi: 10.1063/5.0085817. J Chem Phys. 2022. PMID: 35568550
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: von lilienfeld oa. 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.
Ab Initio Machine Learning in Chemical Compound Space.
Huang B, von Lilienfeld OA. Huang B, et al. Among authors: von lilienfeld oa. Chem Rev. 2021 Aug 25;121(16):10001-10036. doi: 10.1021/acs.chemrev.0c01303. Epub 2021 Aug 13. Chem Rev. 2021. PMID: 34387476 Free PMC article. Review.
Quantum Machine Learning in Chemical Compound Space.
von Lilienfeld OA. von Lilienfeld OA. Angew Chem Int Ed Engl. 2018 Apr 9;57(16):4164-4169. doi: 10.1002/anie.201709686. Epub 2018 Mar 14. Angew Chem Int Ed Engl. 2018. PMID: 29216413 Review.
The central role of density functional theory in the AI age.
Huang B, von Rudorff GF, von Lilienfeld OA. Huang B, et al. Among authors: von lilienfeld oa. Science. 2023 Jul 14;381(6654):170-175. doi: 10.1126/science.abn3445. Epub 2023 Jul 13. Science. 2023. PMID: 37440654 Review.
Ab initio machine learning of phase space averages.
Weinreich J, Lemm D, von Rudorff GF, von Lilienfeld OA. Weinreich J, et al. Among authors: von lilienfeld oa. J Chem Phys. 2022 Jul 14;157(2):024303. doi: 10.1063/5.0095674. J Chem Phys. 2022. PMID: 35840379
Alchemical Normal Modes Unify Chemical Space.
Fias S, Chang KYS, von Lilienfeld OA. Fias S, et al. Among authors: von lilienfeld oa. J Phys Chem Lett. 2019 Jan 3;10(1):30-39. doi: 10.1021/acs.jpclett.8b02805. Epub 2018 Dec 20. J Phys Chem Lett. 2019. PMID: 30395469 Free article.
86 results