The Faculty of Science and Engineering, Department of Chemistry at University of Manchester is inviting for a Research Associate to work with Prof Nikolas Kaltsoyannis on the computational application of density functional theory to the materials chemistry of PuO2.

About the project:
  • The project you will be working on is an EPSRC and industry funded collaboration between The University of Manchester, Imperial College London, the National Nuclear Laboratory and the Diamond Light Source, with the aim of developing a predictive understanding of PuO2 evolution.
  • The selected candidate will be responsible for the computational simulation of PuO2, and compounds based on PuO2 but with in-growth of Pu decay products, especially U and Am.
  • This research will employ density functional theory (DFT), and will link closely with concurrent experimental studies of the preparation and characterisation of PuO2 materials of varying isotopic compositions and ages, and other computational research based on molecular dynamics simulations.


  • Applicant must have or be about to obtain, a PhD or equivalent in computational chemistry, computational physics or computational materials science.
  • Applicant must have extensive experience of computational quantum techniques based on density functional theory to study bulk and/or surface properties using one or both of the following codes or equivalents: (i) VASP (ii) Chemshell
  • Applicant must have a strong track record of publishing in top quality journals, as appropriate to career stage
  • Applicant must have good knowledge of Linux operating systems and familiarity with HPC environments.
  • Applicant must have the ability to work collaboratively in a research team and be able to work independently, when required, and be self-motivated
  • Applicant must have excellent time management and organisational skills and an ability to meet deadlines
  • Applicant must have good written and spoken English

How to apply:

Apply online

—————–Quick Overview————-
Organization University of Manchester
Country UK
Fellowship Level Research associate
Subject areas Computational Chemistry, Computational Physics, Computational Materials Science
Fellowship amount Varies
Eligibility PhD degree
Deadline 03/09/2020

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