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Quantum Chemistry Meets Machine Learning.
Fabrizio A, Meyer B, Fabregat R, Corminboeuf C. Fabrizio A, et al. Among authors: meyer b. Chimia (Aarau). 2019 Dec 18;73(12):983-989. doi: 10.2533/chimia.2019.983. Chimia (Aarau). 2019. PMID: 31883548 Free article.
Electron density learning of non-covalent systems.
Fabrizio A, Grisafi A, Meyer B, Ceriotti M, Corminboeuf C. Fabrizio A, et al. Among authors: meyer b. Chem Sci. 2019 Sep 9;10(41):9424-9432. doi: 10.1039/c9sc02696g. eCollection 2019 Nov 7. Chem Sci. 2019. PMID: 32055318 Free PMC article.
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: meyer b. 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.
Analyzing Fluxional Molecules Using DORI.
Vannay L, Meyer B, Petraglia R, Sforazzini G, Ceriotti M, Corminboeuf C. Vannay L, et al. Among authors: meyer b. J Chem Theory Comput. 2018 May 8;14(5):2370-2379. doi: 10.1021/acs.jctc.7b01176. Epub 2018 Apr 4. J Chem Theory Comput. 2018. PMID: 29570294
3,441 results