22nd Year Course

Theoretical Methods for Chemists

Computational Laboratories

MRES and 4th Year Course

The Theory of Nanoscale Structures: Computer Simulations and Modelling

Slides from Lectures - Autumn Term

Further Reading

Perhaps the best way to learn about molecular dyanamics is to do some simple simulations. The background information and software provided as The Molecular Workbench are a good place to start.


This course assumes a basic familiarity with quantum mechanics as presented in a typical physics or chemistry undergraduate level. The following may be useful background reading.

Notes from historical courses

Fourier Series and Fourier Transforms

22nd Year Course

Theoretical Methods for Chemists

Lecture Notes:

Autumn Term: Linear Algebra, LCAO, Matrices and Symmetry

Spring Term: Sequences and series

Problem Sheets

Problem Classes