Our Mission
The energy problem, environmental and health issues, as well as the recent economic struggles pose major challenges for current societies. Catalysis and materials science can play a major role in overcoming such challenges with the engineering of tailored materials suitable for applications such as the conversion of renewable feedstocks into chemicals and fuels, the storage of hydrogen, or the utilisation of CO2. Such applications are key in the development of efficient technologies and the improvement of the quality of life.
Our research efforts aim towards obtaining a fundamental understanding of the underlying physico-chemical processes during catalysis and materials synthesis. We develop and use multiscale computational methods to model, simulate and predict the properties of materials for desired applications.
Latest News
- 21/04/2026: A warm welcome to our new DPhil student Ison Hau! His research will focus on developing generative AI–accelerated approaches for the kinetic modelling of catalytic CO2 valorisation, combining machine learning with mechanistic simulation methods!
- 24/03/2026: Our collaborative review paper titled “Multiscale simulations of gas hydrates: from molecular mechanisms to mesoscale growth and macroscale flow and production predictions” is now openly available in CrystEngComm. Congratulations to Miguel and our collaborators!
- 13/03/2026: Our collaborative paper titled “Unravelling the role of redox active sites in nitrogen doped cerium oxide for associative ammonia decomposition” is now openly available in Nature Communications. Congratulations to Marvin and our collaborators!