Chemical Modelling, 7.5 credits

About the education

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.

Subject: Chemistry

No description found.

Area of interest: Science and Mathematics

Science and mathematics help us understand how the world around us is connected – from the origin and structure of the universe, to the development and function of humanity and all other organisms on earth.

Scientific knowledge makes it possible to critically examine the credibility of information in different areas of everyday life, society, and the media.

As a scientist or mathematician, you will be attractive on a large job market that covers all parts of society and includes everything from pure technology companies to environment and healthcare, as well as research.

Department responsible for education

Department of Materials and Environmental Chemistry