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Machine learning meets chemical physics.
Ceriotti M, Clementi C, Anatole von Lilienfeld O. Ceriotti M, et al. J Chem Phys. 2021 Apr 28;154(16):160401. doi: 10.1063/5.0051418. J Chem Phys. 2021. PMID: 33940847
Fast-forward Langevin dynamics with momentum flips.
Hijazi M, Wilkins DM, Ceriotti M. Hijazi M, et al. Among authors: ceriotti m. J Chem Phys. 2018 May 14;148(18):184109. doi: 10.1063/1.5029833. J Chem Phys. 2018. PMID: 29764135 Free article.
143 results