Research Associate in the School of Sciences and mathematics
Loughborough University School of Sciences and mathematics
United Kingdom

We are seeking to appoint a Post-Doctoral Research Associate (PDRA) based in the School of Science at Loughborough University. The project is funded by EPSRC for a duration of up to 36 months, not extending beyond 14th October 2022. The work is in collaboration with Dr Andrew Duff at Daresbury Laboratory and travel between Loughborough, Daresbury and collaborators in Holland and Germany will also be required.

The main aim of the project is to model the mechanical and thermal properties of various multicomponent high entropy alloys (HEAs) from first principles using novel techniques.

The main work will involve the use of Density Functional Theory (DFT) computer simulations to understand the electronic structure and energy landscapes of the HEAs. Besides thermal and mechanical properties, the relative stability of various phases will also be investigated and multiscale modelling by linking the DFT results to empirical potential models will also be required. Besides the theoretical aspects of the work, an ability to liaise with experimentalists working on HEAs is a fundamental requirement.

Applicants should hold a PhD in a relevant field (i.e. Physics, Chemistry, Materials or Applied Mathematics). Experience of computer modelling using DFT, molecular dynamics (MD) and Monte-Carlo models essential. Excellent computer programming skills, using C or FORTRAN as well as scripting languages such as Python are also essential to the job. Experience of high-performance computing with MPI is also necessary.

Informal enquiries should be made to either Professor Roger Smith School of Science by email at: or by telephone on 01509 223192 or to Dr Pooja Goddard,

The closing date for receipt of applications is 18 August 2019.

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