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Research Associate Computational Studies of Emer ... (1 reply)

2 weeks ago
jmskelton 2 weeks ago

A new EPSRC-funded postdoctoral research position is available to carry out computational studies of emergent nanoparticles for use in catalysis and electrochemical devices such as batteries and fuel cells, with the Computational Chemistry Group at the University of Bath, working with Prof.Steve Parker and Dr Jonathan Skelton.

The research project will apply computational techniques(largely density-functional theory, but also potential-based methods) to model the segregation processes leading to the exsolution of nanoparticles at the surface of doped oxide perovskites and their catalytic properties. This will involve the study of electronic, transport, spectroscopic and surface properties, using high-throughput modelling techniques to identify candidates for experimental study. This work is part of a four year collaborative programme within an EPSRC Critical Mass grant, and will link strongly with experimental studies being carried out in groups of John Irvine, Stephen Lee and Paul Connor (St. Andrews), David Payne (Imperial College London), Davide Mariotti (Ulster) and Ian Metcalfe (Newcastle).

Previous experience in computational materials science, using either DFT or potential-base modelling, and a track record of peer-reviewed publications are essential. Experience of programming/scripting and high-throughput computational screening are desirable.

This post is available from 1st July 2018 or shortly thereafter. The position is fixed term for 42 months.

Salary: Starting from £32,548, rising to £38,833

Interview Date: To be confirmed

For informal enquiries about the position please contact Prof Steve Parker, (01225-386505, e-mail: [email protected]) or Dr JonathanSkelton ([email protected]).

The University of Bath is an equal opportunities employer and has an excellent international reputation with staff from over 60 different nations. To achieve our global aspirations, we welcome applicants from all backgrounds.

2 weeks ago
jmskelton 2 weeks ago

I'm afraid I forgot to include a crucial piece of information in the above post. Please apply online through the Bath University website at:

Best wishes,


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Ab initio (from electronic structure) calculation of complex processes in materials