Methods of Molecular Simulation

Module code: MA7041

Computer simulation is an essential tool in studying the chemistry and physics of materials. Simulations allow us to develop and test models, to evaluate approximate theories, and to obtain detailed information about the structure and dynamics of model systems at the molecular level.  The module covers a wide range of practical methods, taking you through the process of formulating the problem, developing the necessary software and, finally, making actual measurements of various static and dynamic properties of simulated substances.


  • 8 hours of lectures
  • 10 hours of project supervision 
  • 112 hours of guided independent study 
  • 20 hours of supervised time in studio/workshop


  • Coursework (40%)
  • Project report (60%)