Systems Modelling: from Atoms to Processes

Our research combines fundamental physical understanding with advanced numerical methods to design better products and processes. Key to this research are techniques for modelling at each appropriate scale, and for scale-bridging so that the properties of systems at different scales can be linked, optimised and controlled.


  • Molecular and mesoscale modelling and statistical thermodynamics
  • Classical DFT, liquid state integral equations, molecular simulations
  • Macroscale process modelling
  • Optimisation (steady-state, dynamic, real-time, stochastic, multi-objective)
  • High performance computing


  • Design and characterisation of nanoporous materials
  • Novel nanomaterials and processes for carbon capture
  • Thermodynamics and mesostructure of liquids, solids, interfaces and nanocomposites
  • Optimisation of;
    • Continuous pharmaceutical manufacturing
    • Food and drink bioprocesses
    • Oil and gas drilling and production
    • Fuel cell systems, tethered kites, etc


We have access to local high performance computers, EDDIE and ARCHER.

Further information