Research Fellow in Computational Modelling of Heterogeneous Catalysis (fixed term)

Metal Atoms on Surfaces and Interfaces (MASI) is a large-scale multidisciplinary project spearheaded by four UK universities (Nottingham, Cardiff, Cambridge, and Birmingham) simultaneously addressing two grand challenges: sustainable use of metals and low-carbon technologies. The project is motivated by natural (limited resource of critical metals) and anthropogenic (overpopulation, global warming) threats rapidly beginning to impact society. The multidisciplinary holistic research methodology of MASI will stimulate innovation across different sectors and accelerate the translation of fundamental discoveries for clean technologies, thus realising the Productive Nation, Resilient Nation and Healthy Nation EPSRC ambitions.  

The project consists of four interconnected Themes addressing the fundamental aspects of metal nanocluster formation (A), metal-support interactions (B), imaging & analysis of nanocatalysts in action (C) and harnessing their catalytic properties in key reactions, including CO2 valorisation, and ammonia synthesis (D), funded by the EPSRC Programme Grant for a period of five years. 

We seek to appoint an innovative computational chemist with a broad range of experience in ab initio codes, data acquisition, and data analysis methodologies who will join the multidisciplinary MASI team. The Research Fellow will be appointed for two years and will bring expertise in computational modelling of heterogeneous catalysts, including interactions and bonding of small molecules (e.g. CO2, H2, N2) with metal nanoclusters and chemical reactions on metals and hybrid interfaces. The Research Fellow will become part of the Computational Materials Science group, led by Prof. Elena Besley (

Application deadline: Sunday, 7th November 2021

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