Wassja Alexander Kopp
Ingenieur,
Postdoc
Works:
- Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations
- Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations
- Efficient yet accurate approximations for ab initio calculations of alcohol cluster thermochemistry
- Ab initio kinetics predictions for H-atom abstraction from diethoxymethane by hydrogen, methyl, and ethyl radicals and the subsequent unimolecular reactions