Advanced Molecular Modelling

The course gives the theoretical basis for molecular mechanics, intermolecular forces, solvation as well as molecular electromagnetism. Furthermore, theoretical models are discussed for reactivity and reaction dynamics (catalysis), and optical electronic properties of molecular materials (nanostructures). Themes are also selected based on the stundents' background and interests.

After the course, the student is expected to be able to:

• Explain on a detailed level the theoretical models that the student uses in his/her daily computations.

Skills:

• Carry out and present literature studies on selected themes at the research forefront in molecular modeling.

Lectures, obligatory exercises and literature studies.

Expected work load in the course is 200-225 hours.