Stamatakis Research Group

Multiscale Computational Catalysis & Materials Science

Multiscale modelling in catalysis.

Departmental Research Groups

  • Catalysis and Chemical Reaction Engineering. The Catalysis and Chemical Reaction Engineering (CCRE) group develops catalytic materials and reactor technologies using theoretical and experimental methodologies. Our group employs theory and simulation to understand catalytic activity at a fundamental level and predict promising catalytic structures.
  • Product and Process Systems Engineering. The overall aim of the Product and Process Systems Engineering (PPSE) group is to develop and extend competencies in methodological developments in systems engineering and to demonstrate these by application to challenging problem domains. We are involved in the development of multiscale methodologies for the simulation of materials and processes, from the molecular- to the process-scale.

Centres and Consortia

ReaxPro logo.
  • ReaxPro. Funded by the European Union’s Horizon 2020 programme, ReaxPro is a consortium of 10 partners in 6 European countries that aims at upscaling academic software tools for reactive materials and process modelling (EON, Zacros, CatalyticFOAM) into easy-to-learn, user-friendly, interoperable software that is supported and well documented. These tools will be further integrated with commercial software (Amsterdam Modeling Suite) into an industry-ready solution. To fully reach the target technology readiness level of 7, ReaxPro has partnered with translators and industry for validation and demonstration in pilot- and industrial-scale use cases.
  • Thomas Young Centre logo.Thomas Young Centre: the London Centre for the Theory and Simulation of Materials. The Thomas Young Centre (TYC) is a dynamic and interdisciplinary alliance of London researchers who operate at the forefront of science to address the challenges of society and industry through the theory and simulation of materials. Our group is involved in the development and application of theoretical methods for catalytic materials modelling. See Michail's profile at TYC.
  • UK Catalysis Hub logo.UK Catalysis Hub. The UK Catalysis Hub endeavours to become a leading institution, both nationally and internationally, in the catalysis field and acts to coordinate, promote and advance the UK catalysis research portfolio. Our group is involved in the Catalyst Design Theme of the Hub, led by Prof. Richard Catlow.
  • Centre for Process Systems Engineering logo.Centre for Process Systems Engineering. CPSE is a multi-institutional research centre of world-class departments at Imperial College London and University College London, inaugurated in 1989 by Professor Roger W. H. Sargent. Our group's contribution lies within the Modelling and Model Solution Tools competence area and the Molecular Systems Engineering application domain.
  • IMASC Energy Frontier Research Center logo.Integrated Mesoscale Architectures for Sustainable Catalysis: A USA DoE Energy Frontier Research Center. The core of the IMASC research approach is to integrate fundamental studies of model systems with the design, synthesis and testing of mesoporous catalysts spanning a vast range of pressures, temperatures and materials complexity. Theory and experiment are being combined to establish and test general principles that control reactivity and selectivity. We collaborate with the IMASC-EFRC on the study of oxidative coupling of alcohols on pure metals and alloys. See Michail's profile at IMASC-EFRC.