Optimal radial basis for density-based atomic representations. - Alexander Goscinski; Felix Musil; Sergey Pozdnyakov; Michele Ceriotti (CoRR, 2021)

The role of feature space in atomistic learning. - Alexander Goscinski; Guillaume Fraux; Giulio Imbalzano; Michele Ceriotti (Mach. Learn. Sci. Technol., 2021)