Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications. - Tobias Morawietz; Nongnuch Artrith (J. Comput. Aided Mol. Des., 2021)

Strategies for the construction of machine-learning potentials for accurate and efficient atomic-scale simulations. - April M. Miksch; Tobias Morawietz; Johannes Kästner; Alexander Urban; Nongnuch Artrith (Mach. Learn. Sci. Technol., 2021)

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. - Wouter Heyndrickx; Lewis H. Mervin; Tobias Morawietz; Noé Sturm; Lukas Friedrich; Adam Zalewski; Anastasia Pentina; Lina Humbeck; Martijn Oldenhof; Ritsuya Niwayama; Peter Schmidtke; Nikolas Fechner; et al. (J. Chem. Inf. Model., 2024)