Theoretical and computational chemistry
Quantum-chemical methods and computational models for electronic structure, bonding, and reactivity.
This page collects the courses taught by Ivo Filot, together with the Han-sur-Lesse Winterschool. If you are looking for research-oriented student work, please continue to the projects page.
Quantum-chemical methods and computational models for electronic structure, bonding, and reactivity.
Simulation techniques for molecular systems, with emphasis on modelling, sampling, and interpretation.
Reaction rates, electrochemical driving forces, and the coupling between transport and interfacial processes.
How bonding models and spectroscopic tools reveal molecular structure and electronic states.
Core scientific programming skills paired with linear algebra for quantitative problem solving.
Catalytic principles from mechanism to application, including how catalysts are designed and evaluated.
A deeper treatment of thermodynamic equilibria and kinetic descriptions in complex chemical systems.
The structure, bonding, and reactivity of inorganic compounds across the periodic table.
The Han-sur-Lesse Winterschool provides an advanced graduate course in theoretical (quantum) chemistry, spectroscopy, and statistical mechanics. It is intended for PhD students in the Netherlands, while also being open to advanced Master's students and PhD students from related fields.