In this perspective review, we outline some of the state-of-the-art methods used to represent structure with applications both for molecular and extended solid systems. We also suggest future areas of focus in the field in order to bridge the divide between machine learning in small molecules and crystalline solids.
K. Rossi and J. Cumby, Representations and descriptors unifying the study of molecular and bulk systems, International Journal of Quantum Chemistry, 120, 2020, e26151.