Overview: Computer simulations

This final chapter of the module gives you the opportunity to understand something about modern research on statistical mechanics. The primary focus is on the field of atomistic simulation and the method known as molecular dynamics in particular. We will, however, also discuss work in other fields that has been inspired by these recent developments in the simulation of atoms and molecules. The organisation of this part of the module is different from the first three chapters. Instead of having a set syllabus that you have to work through each of you will be given an article to read. You are then expected to give a presentation on the content of the article and to write a report on the article. The purpose of this approach is to give you some experience of how research work differs from undergraduate work and to encourage you to begin the process of having conversations about research papers with supervisors and with your peers.


  • You should be able to use web of knowledge to determine what articles have cited a particular scientific paper.
  • You should be able to read scientific papers critically without getting waylaid by the mathematics.

Contact Details

School of Mathematics and Physics,
Queen's University Belfast,

Email: g.tribello@qub.ac.uk
Website: mywebsite