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Machine learning meets chemical physics.
Ceriotti M, Clementi C, Anatole von Lilienfeld O. Ceriotti M, et al. Among authors: clementi c. J Chem Phys. 2021 Apr 28;154(16):160401. doi: 10.1063/5.0051418. J Chem Phys. 2021. PMID: 33940847
Introduction: Machine Learning at the Atomic Scale.
Ceriotti M, Clementi C, Anatole von Lilienfeld O. Ceriotti M, et al. Among authors: clementi c. Chem Rev. 2021 Aug 25;121(16):9719-9721. doi: 10.1021/acs.chemrev.1c00598. Chem Rev. 2021. PMID: 34428897 No abstract available.
Quantum dynamics using path integral coarse-graining.
Musil F, Zaporozhets I, Noé F, Clementi C, Kapil V. Musil F, et al. Among authors: clementi c. J Chem Phys. 2022 Nov 14;157(18):181102. doi: 10.1063/5.0120386. J Chem Phys. 2022. PMID: 36379765
Sparse learning of stochastic dynamical equations.
Boninsegna L, Nüske F, Clementi C. Boninsegna L, et al. Among authors: clementi c. J Chem Phys. 2018 Jun 28;148(24):241723. doi: 10.1063/1.5018409. J Chem Phys. 2018. PMID: 29960307
Coarse graining molecular dynamics with graph neural networks.
Husic BE, Charron NE, Lemm D, Wang J, Pérez A, Majewski M, Krämer A, Chen Y, Olsson S, de Fabritiis G, Noé F, Clementi C. Husic BE, et al. Among authors: clementi c. J Chem Phys. 2020 Nov 21;153(19):194101. doi: 10.1063/5.0026133. J Chem Phys. 2020. PMID: 33218238 Free PMC article.
Unsupervised Learning Methods for Molecular Simulation Data.
Glielmo A, Husic BE, Rodriguez A, Clementi C, Noé F, Laio A. Glielmo A, et al. Among authors: clementi c. Chem Rev. 2021 Aug 25;121(16):9722-9758. doi: 10.1021/acs.chemrev.0c01195. Epub 2021 May 4. Chem Rev. 2021. PMID: 33945269 Free PMC article.
159 results