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    • Predicting scalar coupling constants via machine learning 

      Bakken, Fredrik; Sandberg, Lars L; Christensen, Dennis; Engøy, Thor; Gisnås, Hallvar; Aurdal, Lars (2021-12-22)
      Over the preceding decade, machine learning techniques have been successfully applied in several fields of research, including the prediction of chemical properties of atoms and molecules. Whereas conventional quantum ...