Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations. - Malte Döntgen; Felix Schmalz; Wassja A. Kopp; Leif C. Kröger; Kai Leonhard (J. Chem. Inf. Model., 2018)

Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration. - Gabriel Rath; Wassja A. Kopp; Kai Leonhard (J. Chem. Inf. Model., 2021)

Efficient Reaction Space Exploration with ChemTraYzer-TAD. - Lukas Krep; Indu Sekhar Roy; Wassja A. Kopp; Felix Schmalz; Can Huang; Kai Leonhard (J. Chem. Inf. Model., 2022)

AUTOGRAPH: Chemical Reaction Networks in 3D. - Philipp Kuboth; Jan A. Meissner; Wassja A. Kopp; Jan Meisner (J. Chem. Inf. Model., 2025)