Kai Leonhard

Kai Leonhard is an Adjunct Professor at the Chair of Technical Thermodynamics, RWTH Aachen University. His research focuses on computational chemistry, thermodynamics, and molecular modeling, particularly in solvent design and reactive chemical processes.

• Department: Chair of Technical Thermodynamics
• Email: kai.leonhard@ltt.rwth-aachen.de

Prof. Leonhard's work integrates quantum chemistry with computer-aided molecular and process design (CAMD/CAPD), emphasizing solvation thermodynamics, reaction kinetics, and machine learning applications. His projects span biofuel combustion, microgel synthesis, and sustainable solvent development.

Recent publications highlight advancements in COSMO-RS-based solvent screening, reaction network exploration via ChemTraYzer-TAD, and multi-fidelity modeling for partition coefficients. He employs machine learning to enhance predictive thermodynamic models and optimize chemical processes.