Calculation of Thermodynamic Data and
Rate Coefficients for Combustion Reactions
from First Principles

Topic: Adequate chemical models for combustion processes require reliable kinetic and thermodynamic data of the underlying elementary chemical steps.

The Spring School will present an introduction into modern quantum chemical and statistical rate theory methods to calculate from first principles rate coefficients and equilibrium constants for combustion-relevant reactions. Emphasis will be put on hands-on experience by extensive computer exercises.

All necessary program packages will be provided.

Venue: Karlsruhe Institute of Technology (KIT), Campus South, Fritz-Haber-Weg 2, Building 30.44, 76131 Karslruhe, Germany (see map).

Dates: Monday, March 19th (morning) to Friday, March 23rd (noon).
Arrival on Sunday (March 18th) is highly recommended.

Scientific Coordinator: Matthias Olzmann (KIT)