Aims and Fit of Module

To introduce students to molecular modelling techniques using examples from inorganic and organic chemistry.

Learning outcomes

A Understand the importance of molecular modelling in chemistry.
B Explain ab initio, semi-empirical and empirical models, knowing which model is suitable for a particular type of problem.
C Explain Molecular Dynamics and Monte Carlo simulation methods, knowing which method is suitable for a particular type of problem.
D Apply molecular simulation techniques to solve chemistry problems.
E Evaluate supportive technologies in molecular modelling processes.

Method of teaching and learning

Lectures and computational labs