Research Associate/ Fellow in Theoretical Modelling of Heterogeneous Catalysis (fixed term) (SCI

We seek to appoint a talented theoretician with a broad range of experience in theoretical chemistry, developing of quantum chemical methods, carbon allotropes, transition metal complexes and metal-organic frameworks, ionic liquids, theoretical modelling of adsorption processes. The Research Fellow will become part of the large-scale multidisciplinary project “Metal Atoms on Surfaces and Interfaces (MASI)” involving four UK universities (Nottingham, Cardiff, Cambridge, and Birmingham) and join the Computational Materials Science group led by Prof. Elena Besley (https://ebesley.chem.nottingham.ac.uk/) The Research Associate/ Fellow is expected to develop novel theoretical approaches to describing interfacial chemical reactions and transport phenomena focusing on catalytic activity and selectivity of different metal nanoclusters in a range of chemical reactions. PhD (or close to completion) in Chemistry, Materials Science, Physics, Chemical Engineering, or related field.; knowledge of the concepts of quantum chemical methods (beyond density functional theory); experience in theory development and applications to heterogeneous catalysis and complex reactive interfaces involving metal nanoclusters are essential. The MASI project is focused on two key challenges: sustainable use of metals and low-carbon technologies. Through harnessing the unique characteristics and potential of single metal atoms and metal nanoclusters, MASI seeks to address pressing global issues of sustainability, energy efficiency, carbon dioxide utilisation and a move towards a circular economy. The multidisciplinary holistic research methodology of MASI is stimulating innovation across different sectors, accelerating the translation of fundamental discoveries for clean technologies. The project consists of four interconnected Themes addressing the fundamental aspects of metal nanocluster formation, metal-support interactions, imaging & analysis of nanocatalysts in action and harnessing their catalytic/electrocatalytic properties in key reactions, including CO2 electroreduction and hydrogen generation by electrolysis. For more information, please visit www.MASI.ac.uk.

The post is offered on a fixed term contract until 31 March 2026. Hours of work are full time, 36.25 hours per week. 

Informal enquiries may be addressed to Prof. Elena Besley, e-mail: elena.besley@nottingham.ac.uk, and Prof. Andrei Khlobystov, email: andrei.khlobystov@nottingham.ac.uk. Please note that applications sent directly to this email address will not be accepted.

Closing Date: 09 Apr 2025 Category: Research and Teaching (R&T)