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Date: Tue Feb 8 16:55:50 2022
Subject: 22.02.08 Postdoc in Computational Chemistry/Physics, University of Manchester, UK

Postdoc in Computational Chemistry/Physics, University of Manchester, UK

A Research Associate position, for up to 3 years, is available for 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 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_4) enables geometry optimisation and simulation. The post is tenable from 1st May 2022.

Overall Purpose of the Job: The overall task is to further the development of FFLUX by extending, modifying, testing and perfecting in-house software. By using the concept of atomic transferability FFLUX will be able to make predictions for systems larger than those it has been trained for by machine learning (Gaussian process regression).

To apply and get more details use:
Based within the Department of Chemistry at the University of Manchester, you will work with Professor 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. You should be capable of working under your own initiative and 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 Immigrations (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 is strongly committed to promoting equality and diversity, including the Athena SWAN charter for gender equality in higher education. The School 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
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 Popelier
Email: pla^

General enquiries: Email: People-od.operations^

Technical support:

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

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Modified: Tue Feb 8 21:55:50 2022 GMT
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