Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground. - Christoph Schran; Jörg Behler; Dominik Marx (CoRR, 2019)

A bin and hash method for analyzing reference data and descriptors in machine learning potentials. - Martín Leandro Paleico; Jörg Behler (Mach. Learn. Sci. Technol., 2021)

An assessment of the structural resolution of various fingerprints commonly used in machine learning. - Behnam Parsaeifard; Deb Sankar De; Anders S. Christensen; Felix A. Faber; Emir Kocer; Sandip De; Jörg Behler; O. Anatole von Lilienfeld; Stefan Goedecker (Mach. Learn. Sci. Technol., 2021)