UK Team

Cardiff University

Professor Nora de Leeuw CChem FRSC


BSc (Hons) 1st class (Open), PhD (Bath)


Cardiff University, Main Building, Park Place, Cardiff CF10 3AT


Pro Vice-Chancellor (International & Europe)


Professor, Computational Materials Science, Department of Chemistry


Research experience

Development and application of computational techniques to research in heterogeneous catalysis; biomaterials (hard and soft tissue); and mineralogy


Professor de Leeuw is the Principal Investigator and has responsibility for the entire programme, including finances and management of the training and research programme. She also shares the supervision of the computational students on the programme, particularly in the areas of catalysis (KNUST, UB) and doped copper-based solar materials  (CU, UNAM), and together with colleagues she will design and deliver the training programme, where her experience in supervising research students and directing a Centre for Doctoral Training will be highly relevant.


Professor Richard Catlow FRS


BA (Hons) 1st class, MA, DPhil (Oxford)


Professor of Chemistry, UCL, UK


Professor of Catalytic and Computational Chemistry, Cardiff Catalysis Institute/School of Chemistry, Cardiff University, UK




Research experience

Computational materials chemistry and facilities-based research (synchrotron, neutron diffraction), focused on oxide surface chemistry, zeolites and homogeneous and heterogeneous catalysts.


Professor Catlow co-supervises students on the modelling of homogeneous catalysis (UB and KNUST) and zeolites (KNUST, AAU) and help deliver the training activities at the African partner institutions. His 15-year experience of heading a Royal Society-NRF capacity building programme on Materials Modelling in South Africa is being brought to bear in the current project.



Dr. Nelson Yaw Dzade

Research experience

Dr. Dzade has extensive experience in the fields of surface science, catalysis and computational materials chemistry. His research activities are focused on employing the state-of-the-art computer simulations and modelling techniques based on the Density Functional Theory (DFT) to (a) Design and predict new materials with tailored and improved functionalities, (b) Describe interface phenomena including adsorption, surface chemical reactions, and heterogeneous catalysis, and (c) Obtain information about the atomic structure and electronic states that may be hard to access experimentally. Recently, his research activities are focused on Computer-aided design of iron-sulfide nanocatalysts for the solar-driven conversion of CO2 to fuels.



M.Sc. (AUST), Ph.D. (UCL), Post-Doctoral Researcher (Utrecht University).



Dr Alberto Roldan Martinez

Research experience

Dr Roldan's research is aimed at understanding the dynamism of surface processes that underlie phenomena such as catalysis and corrosion. His group employs a range of computational tools to model physical and chemical properties of these systems regarding the experimental synthetic and working conditions. The use of micro-kinetic models allows them to approach specific conditions including the optimization of the catalyst structure and working conditions improving yields, selectivity of the catalyst as well as controlling sintering effects.




M.Sc. (BA-Spain), Ph.D. (UR-Spain), Research Associate (UCL), Research Fellow (CU-UK)



Project Manager

Qamreen Parker



Address: Room 1.77A School of Chemistry, Cardiff University, Main Building Park Place, Cardiff CF10 3AT


© Copyright 2017. All rights reserved

Webmaster: Richard Tia