Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations. - Patrick Bleiziffer; Kay Schaller; Sereina Riniker (J. Chem. Inf. Model., 2018)

Predicting the fiber orientation in glass fiber reinforced polymers using the moment of inertia and convolutional neural networks. - Patrick Bleiziffer; Jürgen Hofmann; Robert Zboray; Thorsten Wiege; Roger Herger (Eng. Appl. Artif. Intell., 2021)

Correction to "Machine Learning of Partial Charges Derived From High-Quality Quantum-Mechanical Calculations". - Patrick Bleiziffer; Kay Schaller; Sereina Riniker (J. Chem. Inf. Model., 2023)

A Robust and Versatile QM/MM Interface for Molecular Dynamics in GROMOS. - Peter Poliak; Patrick Bleiziffer; Felix Pultar; Sereina Riniker; Chris Oostenbrink (J. Comput. Chem., 2025)