Molecular Modelling (MSc)
Molecular modelling and the use of computers in chemical problems is an exciting and rapidly expanding field. Modelling techniques find use in many diverse areas, from fundamental studies of molecular properties and their reactions, whether in the lab, the earth’s atmosphere, or in space, to the design of new drugs and materials. Parallel to the expansion in applications of molecular modelling, recent years have seen huge advances in the development of new methods, delivering ever more accurate results for wider ranges of molecules and materials.
The MSc in Molecular Modelling programme offers a unique opportunity for study in this field, providing training in all modern aspects of computational chemistry. This ranges from the quantum mechanical theories underpinning much of modelling, through applications to various aspects of chemistry, to the use of modelling in biological and materials science. The course is designed to suit graduates from diverse backgrounds, e.g. chemistry, physics, biochemistry, pharmacy and chemical engineering.
The course is designed around a modular system of teaching and assessment, with modules covering the range of both theory and applications of molecular modelling. Five core modules are taken in the first semester (Sept - Jan), with four core and two optional modules in the second (Feb - May). The summer is then spent solely on a research project, running from June to August.
Course Content
Semester 1
- Mathematics for Chemists
- Quantum Chemical Methods
- Statistical Mechanics and Kinetics
- Quantum Chemistry
- Exploring Applications in Molecular Modelling
Semester 2
Plus any two from
- Modelling of Biological Macromolecules
- Applications of Computational Chemistry to Materials Science
- Advanced Quantum Theory
- Numerical Mathematics and High-Performance Computing
The summer research project (60 credits) is typically chosen from a list of options proposed by course staff, usually in an area of current research interest. More information on these areas can be on individual staff pages. The course is taught mainly by the four members of the Theoretical and Computational Chemistry research group.
The first four modules in semester 1 are designed to give a solid grounding in mathematical and theoretical methods that underpin all molecular modelling and simulation. A more applied module runs alongside these, giving hands-on experience of a range of modelling methods. The second semester builds on this theoretical knowledge to show how such methods may be applied to problems across chemical, materials and life sciences. Two modules develop skills in computer programming, but require no prior knowledge in this area. Optional modules provide introduction to modern research topics, and are designed to cover a broad span of interest.
Online Course Material can be accessed through the University’s Learning Central system (Cardiff University users only).
See this course on the University's Coursefinder website.