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.
- 23/01/2023: Our collaborative paper with the group of Prof. Edman Tsang at Oxford, titled "Molecular Layer-by-layer Re-stacking of MoS2-In2Se3 by Electrostatic means: Assembly of a New Layered Photocatalyst" is now published online in Materials Chemistry Frontiers. Congratulations to Hector and our collaborators for this excellent work!
- 06/01/2023: Our invited paper titled "Large-scale benchmarks of the Time-Warp/Graph-Theoretical Kinetic Monte Carlo approach for distributed on-lattice simulations of catalytic kinetics" is now published online in Physical Chemistry Chemical Physics. Congratulations to Giannis and Raz, as well as to Ilektra from the Research Software Development Group!
- 28/11/2022: Michail has been honoured with a Friedrich Wilhelm Bessel Research Award from the Alexander von Humboldt Foundation in Germany! The award will enable him to conduct research on kinetic modelling of catalytic conversion of CO2 to useful products at the Theory Department of the Fritz Haber Institute, hosted by Prof. Karsten Reuter.