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