Automatic PES mapping from Reaxff simulations with ChemTraYzer

Huang, Can; Schmalz, Felix; Kopp, Wassja Alexander; Krep, Lukas; Kröger, Leif Christian; Döntgen, Malte; Leonhard, Kai

(2021)
Poster

In: International Workshop on Molecular Modeling and Simulation 2021-03-01 - 2021-03-01

Institutions

• Chair and Institute of Technical Thermodynamics [412110]