Chemical Modelling

Education facts

Code: KZ7002

The course is expected to give a good orientation and useful skills in modern computer modelling/simulation of chemical systems as bulk, aggregate and at surfaces. It will start by introductory quantum mechanics, statistical thermodynamics and kinetics. Several important state-of-the-art techniques in the computational chemistry and materials science will be introduced including quantum chemical (density functional theory), molecular dynamics and Monte Carlo calculations. We will then take physical models to compute structures and properties of matter across length scales from atoms to (almost) macroscale by combining several computational techniques based on a multiscale concept. Practical training to chemical modelling will be given in computer laborations using both commercial and in-house software, for studies of for example biological membranes and porous materials.

Entry requirements

Requires 60 hp (ECTS) in chemistry, of which at least 15 hp (ECTS) should be in physical chemistry, and an additional 15 hp (ECTS) in mathematics. Also required is knowledge equivalent to Swedish upper secondary course English B or equivalent.

Education offerings

Each offering has its own dates and conditions. Closed offerings are retained as history and do not mean that a new application is open.

• Chemical Modelling

  Stockholm University

  Start date: 3 November 2026

  End date: 2 December 2026

  Pace of study: 100 %