Theme overview

Computational chemical engineering involves the development and application of numerical simulation and optimisation technology in order to ultimately improve design, operation and control of complex systems throughout the natural and human-generated world.

Scale is an important element of the work in this research theme, as scientists work on microscale projects at the biomolecular level which can have observed changes on a macroscale, for example across whole supply chains in manufacturing across the globe. 

Through multi-scale computational chemical engineering we can gather knowledge across physical, biological or chemical systems and build computer models to understand how best to optimise them.

Computer models produced in this research area in are useful for a number of reasons including: to predict behaviours of a particular system, to test the outcome of various design options, to process changes or failures within the system, to optimise the system to produce a particular outcome, or to assess the performance of a system.

Related courses

MSc in Advanced Chemical Engineering with Process Systems Engineering

Related research centres and institutes