Neural networks and kernel ridge regression for excited states dynamics of CH2NH$_2^+$: From single-state to multi-state representations and multi-property machine learning models. - Julia Westermayr; Felix A. Faber; Anders S. Christensen; O. Anatole von Lilienfeld; Philipp Marquetand (Mach. Learn. Sci. Technol., 2020)

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)

BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale. - Carl Poelking; Felix A. Faber; Bingqing Cheng (Mach. Learn. Sci. Technol., 2022)

Equivariant Matrix Function Neural Networks. - Ilyes Batatia; Lars L. Schaaf; Huajie Chen; Gábor Csányi; Christoph Ortner; Felix A. Faber (CoRR, 2023)

Equivariant Matrix Function Neural Networks. - Ilyes Batatia; Lars L. Schaaf; Gábor Csányi; Christoph Ortner; Felix A. Faber (ICLR, 2024)