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2021 JCP Emerging Investigator Special Collection.
Ceriotti M, Jensen L, Manolopoulos DE, Martinez T, Reichman DR, Sciortino F, Sherrill CD, Shi Q, Vega C, Wang LS, Weiss EA, Zhu X, Stein J, Lian T. Ceriotti M, et al. J Chem Phys. 2023 Feb 14;158(6):060401. doi: 10.1063/5.0143234. J Chem Phys. 2023. PMID: 36792492 No abstract available.
Transferable Machine-Learning Model of the Electron Density.
Grisafi A, Fabrizio A, Meyer B, Wilkins DM, Corminboeuf C, Ceriotti M. Grisafi A, et al. Among authors: ceriotti m. ACS Cent Sci. 2019 Jan 23;5(1):57-64. doi: 10.1021/acscentsci.8b00551. Epub 2018 Dec 26. ACS Cent Sci. 2019. PMID: 30693325 Free PMC article.
Machine Learning at the Atomic Scale.
Musil F, Ceriotti M. Musil F, et al. Among authors: ceriotti m. Chimia (Aarau). 2019 Dec 18;73(12):972-982. doi: 10.2533/chimia.2019.972. Chimia (Aarau). 2019. PMID: 31883547 Free article.
Conjugate gradient heat bath for ill-conditioned actions.
Ceriotti M, Bussi G, Parrinello M. Ceriotti M, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Aug;76(2 Pt 2):026707. doi: 10.1103/PhysRevE.76.026707. Epub 2007 Aug 29. Phys Rev E Stat Nonlin Soft Matter Phys. 2007. PMID: 17930174
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems.
Gkeka P, Stoltz G, Barati Farimani A, Belkacemi Z, Ceriotti M, Chodera JD, Dinner AR, Ferguson AL, Maillet JB, Minoux H, Peter C, Pietrucci F, Silveira A, Tkatchenko A, Trstanova Z, Wiewiora R, Lelièvre T. Gkeka P, et al. Among authors: ceriotti m. J Chem Theory Comput. 2020 Aug 11;16(8):4757-4775. doi: 10.1021/acs.jctc.0c00355. Epub 2020 Jul 16. J Chem Theory Comput. 2020. PMID: 32559068 Free PMC article. Review.
Introduction: Machine Learning at the Atomic Scale.
Ceriotti M, Clementi C, Anatole von Lilienfeld O. Ceriotti M, et al. Chem Rev. 2021 Aug 25;121(16):9719-9721. doi: 10.1021/acs.chemrev.1c00598. Chem Rev. 2021. PMID: 34428897 No abstract available.
147 results