Here you can find selected downloadable lectures and presentations given by our researchers.
- Models in Computational Material Science by prof. Francesc Illas
This presentation introduces the need for models in material science, presents usual models and computational techniques highlighted with specific examples.
- Molecular mechanisms and catalytic effects in surface reactions by prof. Francesc Illas
An overview of models in computational material science is given together with more detailed discussion on modelling chemical reactivity at surfaces. This theory is shown applied to the problems of selectivity in olefin epoxidation, and promoting or poisonous properties of bimetalic surfaces.