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Efficient implementation of atom-density representations.
Musil F, Veit M, Goscinski A, Fraux G, Willatt MJ, Stricker M, Junge T, Ceriotti M. Musil F, et al. J Chem Phys. 2021 Mar 21;154(11):114109. doi: 10.1063/5.0044689. J Chem Phys. 2021. PMID: 33752353
Chemical shifts in molecular solids by machine learning.
Paruzzo FM, Hofstetter A, Musil F, De S, Ceriotti M, Emsley L. Paruzzo FM, et al. Among authors: musil f. Nat Commun. 2018 Oct 29;9(1):4501. doi: 10.1038/s41467-018-06972-x. Nat Commun. 2018. PMID: 30374021 Free PMC article.
Atom-density representations for machine learning.
Willatt MJ, Musil F, Ceriotti M. Willatt MJ, et al. Among authors: musil f. J Chem Phys. 2019 Apr 21;150(15):154110. doi: 10.1063/1.5090481. J Chem Phys. 2019. PMID: 31005079
Machine Learning at the Atomic Scale.
Musil F, Ceriotti M. Musil F, et al. Chimia (Aarau). 2019 Dec 18;73(12):972-982. doi: 10.2533/chimia.2019.972. Chimia (Aarau). 2019. PMID: 31883547 Free article.
81 results