CHEM3064

The laboratory course involves a practical, hands–on introduction to modern Computational Chemistry techniques which are used to model the structures, properties and chemical reactivity of molecules.

Includes:

  • Using standard packages to calculate structure and properties of molecules
  • Calculation of energy surfaces to determine the mechanism and activation barriers of chemical reactions
  • Introduction to molecular dynamics - calculating molecules in motion
  • The course employs powerful, widely used modern computational programs

Unit Value: 3 Units