Lecture Content
The lectures will occur during the mornings of weeks 1-4 and will cover (broadly) four different areas. In many cases, current publications will be used to illustrate the techniques being discussed, and copies of these papers can be found from the links to the different subjects.
Statistical Mechanics
Covers the ideas that underpin much of the following material and introduces concepts such as ensembles and phase space
Molecular Simulation
Implementation and application of Monte Carlo and Molecular Dyanamics. Some application papers can be found here.
Statistical Methods
Quantitative Structure Activity Relationships. Some application papers can be found here.
Electronic Structure Calculations
Hartree-Fock, Post Hartree-Fock and Density Functional Theory. Some application papers can be found here.