The Computational Modelling (CoMo) group is active in developing and researching the use of new web-technologies, mainly in the field of knowledge graphs with The World Avatar project. As part of this, we have been working in particular on the digitalisation and automation of experimental research in all its aspects, including high-throughput experimentation and smart laboratories.

The CoMo group is also leading the development of new experimental and numerical methods. The numerical methods include algorithms for solving multi-dimensional population balances based on the stochastic particle method, and solving stochastic reactor models, (SRMs) which allow for fluctuations in physical quantities within a reactor model.

In addition to developing our own numerical methods we also complement them with a wide range of well-established techniques. These include quantum chemistry calculations to provide essential chemical kinetic information and advanced computational fluid dynamics (CFD) to include the multidimensional population balances we develop.

Combining the above tools and techniques allows us to model a wide range of engineering situations spanning length and time scales from the molecular to the industrial. Principal areas of research are internal combustion engines including novel HCCI systems; nanoparticle synthesis including soot, carbon nanotubes, and inorganic nanoparticles; and particle processes including industrial spray dryers, granulation.