Course - Advanced Molecular Modelling - KJ8205
Advanced Molecular Modelling
About
About the course
Course content
The course gives the theoretical basis for molecular mechanics, intermolecular forces, solvation as well as molecular dynamics and Monte Carlo simulations. Furthermore, theoretical models are discussed for reactivity and reaction dynamics (catalysis), optical electronic properties of molecular materials (nanostructures) and free energy simulations of binding affinity (e.g. in drug design).
Learning outcome
The course gives the theoretical basis for molecular mechanics, intermolecular forces, solvation as well as molecular dynamics and Monte Carlo simulations.
Learning methods and activities
The course is lectured every second year, next time spring 2011. Lectures, exercises and literature studies. Portfolio evaluation: Exercises (1/3) and literature studies (2/3). Grading scale: Passed/Failed (Passed is equal to B or better). English teaching by request.
Compulsory assignments
- Exercises
Required previous knowledge
The course requires basic knowledge in computational chemistry (corresponding TKJ4205).
Course materials
Lecture notes and selected journal papers.
Subject areas
- Physical Chemistry
- Chemistry
- Chemical Engineering
- Materials Science and Solid State Physics
- Materialer og bearbeiding - materialmodellering
- Molecular Medicine