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.
- 03/02/2020 - Job Opening: We are looking for an excellent candidate to fill our latest vacancy: Research Fellow in Multiscale Computational Catalysis and Materials Science. For more details see the description on the vacancies page.
- 02/22/2021: Our paper titled “The Catalytic Decomposition of Nitrous Oxide and the NO + CO Reaction over Ni/Cu Dilute and Single Atom Alloy Surfaces: First-principles Microkinetic Modelling” has been accepted for publication in Catalysis Science and Technology. Congratulations, Kostas!
- 02/01/2021: Our latest study on “Single-Atom Alloys for the Electrochemical Oxygen Reduction Reaction” is now published online in ChemPhysChem. Congratulations, Matt!