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Bio- and Nanomaterials in the Virtual Lab

Lecturer: Dr Chris Lorenz 

Semester: 1

Credit level: 7

Credit value: 15


MSc Physics

MSci Physics (UMSH4CSPH)

MSci in Mathematics and Physics (UMSH4CJMMPH)

MSci Physics with Theoretical Physics (UMSH4CMPHTP) 


Learning aims & outcomes

This module provides the theoretical foundations for modern computer simulation methods for bio- and nanomaterials and offers hands-on experience in applying various modelling techniques using state-of-the-art computer programmes.

The students will be expected to understand the theoretical principles behind the simulation techniques, implement numerical algorithms, use standard computer codes to simulate molecules and materials, and interpret the results, taking into account the strengths and weaknesses of each method.


Topics covered include:


  • Ab initio electronic structure theory
  • First principles and classical molecular dynamics
  • Monte Carlos simulation
  • Numerical algorithms

Weekly teaching arrangements

5 x 3 hours of lectures + 5 x 3 hours of computer lab (over the semester)


Basic knowledge of Classical Mechanics and Quantum Mechanics. Previous experience in computer programming is of advantage, but not essential

Summative assessment

Details of the module's summative assessment/s
 TypeWeighting Marking model
Coursework 100% Model 3. Double marking by retrospective sampling

Formative assessment


e-Learning: 7CCP4479 on KEATS



02 April 2019


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