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Research Associate in Computational Chemistry/Biophysics
Oxford Road, Manchester

Job reference: SAE-019800

Location: Oxford Road, Manchester

Closing date (DD/MM/YYYY): 05/10/2022

Salary: £34,308 to £42,155 per annum depending on relevant experience

Employment type: Fixed Term

Faculty/Organisation: Science and Engineering

Division: Computational and Theoretical Chemistry

Hours per week: Full Time

Contract Duration: From 1 December 2022 until 30 November 2024

School / Directorate: School of Natural Sciences

A postdoctoral position for 2 years, with possible extension of another 2 years, is available through UKRI funding underwriting a European Research Council (ERC) Advanced Grant. This position is open to an outstanding and ambitious computational/theoretical physicist or chemist to undertake research in the field of force field design. By its novel architecture the in-house force field FFLUX aims to make a step change in the reliability of modelling of peptides/proteins in aqueous solution. The machine learning method Gaussian Process Regression is used to create knowledgeable quantum atoms that accurately predict energies and multipole moments. FFLUX, which is implemented in in-house software, combines accurate electrostatics and polarisation with an original treatment of short-range interaction and dispersion. The molecular dynamics program DL_FFLUX (derived from DL_POLY) enables geometry optimisation and simulation. The post is tenable from 1st December 2022.

Based within the Department of Chemistry at the University of Manchester, you will work with Prof Popelier and his team. The Department is ranked 3rd in Great Britain and 5th in Europe by the 2021 Nature Index.​​​​​​​

You should have a PhD or equivalent in computational/theoretical physics or chemistry, with at least 2 out the following 3 areas of expertise: electronic structure theory, molecular simulation or machine learning. Expertise in programming is essential including Python. You should be capable of working by your own initiative while interacting effectively in a research team. Therefore, excellent communication and organisational skills are also required.

As this role involves research at a postgraduate level, applicants who are not an EEA national or a national of an exempt country and who will require sponsorship under the Skilled Worker route of the UK Visas and Immigration’s (UKVI) Points Based System in order to take up the role, will be required to apply for an Academic Technology Approval Scheme (ATAS) Certificate and will need to obtain this prior to making any official visa application UKVI)

The School/Department is strongly committed to promoting equality and diversity, including the Athena SWAN charter for gender equality in higher education. The School/Department holds a Silver Award which recognises their good practice in relation to gender; including flexible working arrangements, family-friendly policies, and support to allow staff achieve a good work-life balance. We particularly welcome applications from women for this post. All appointment will be made on merit. For further information, please visit:

Our University is positive about flexible working – you can find out more here

Blended working arrangements may be considered

Please note that we are unable to respond to enquiries, accept CVs or applications from Recruitment Agencies.

Enquiries about the vacancy, shortlisting and interviews:

Name: Prof. Paul Popelier


General enquiries:


Technical support:

This vacancy will close for applications at midnight on the closing date.

Please see the link below for the Further Particulars document which contains the person specification criteria.


The closing date for this job has now passed.