Modelling solid state systems: from electronic structure methods to reactive molecular dynamics

Dr. Shuxia Tao

From benchtop experiments to industrial systems: an introduction to transport phenomena, reaction engineering and multi-scale modelling.

Dr. Ing. Aayan Banerjee

Studying rare events in molecular dynamics simulations: from free energies to mechanistic insights.

Dr. Kristof Bal

Machine learning in computational chemistry: fundamentals and applications.

Dr. Jörg Meyer

Building your own Hartree-Fock program from scratch.

Dr. ir. Ivo Filot