Stamatakis Research Group

Multiscale Computational Catalysis & Materials Science

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

  • 29/04/2025 - DPhil Studentship Opportunity: We are looking for an excellent candidate to fill our latest vacancy: DPhil in Chemistry iDLA studentship: GenAI-Accelerated Kinetic Modelling of Catalytic CO2 Valorisation. For more details see the description on the vacancies page.
  • 07/05/2025: Our paper titled “Elucidating the role of potassium in methane steam reforming using first-principles-based kinetic Monte Carlo simulations” is now openly available in the Journal of Catalysis. Congratulations, Sharath!