Tobias Morawietz

High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide

Nongnuch Artrith, Tobias Morawietz, Jörg Behler · Physical Review B · 2011 · 392 citations

Engineering, Material Simulation, High-dimensional Neural-network Potentials +19

Parallel Multistream Training of High-Dimensional Neural Network Potentials

Andreas Singraber, Tobias Morawietz, Jörg Behler et al. · Journal of Chemical Theory and Computation · 2019 · 221 citations

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information

Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz et al. · Journal of Chemical Information and Modeling · 2023 · 94 citations · Full text

Engineering, Machine Learning, Machine Learning Tool +19

Strategies for the construction of machine-learning potentials for accurate and efficient atomic-scale simulations

April M Miksch, Tobias Morawietz, Johannes Kästner et al. · Machine Learning Science and Technology · 2021 · 91 citations · Full text

Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications

Tobias Morawietz, Nongnuch Artrith · Journal of Computer-Aided Molecular Design · 2020 · 71 citations · Full text