Post-Doctoral Research Associate / Research Software Engineer

University of Lincoln

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School of Mathematics and Physics



From £37,099
per annum

Please note, this post is fixed term for 24 months, and full time at 1.0 FTE.

Closing Date:  

Tuesday 31 October 2023

Interview Date:  

Friday 10 November 2023



The Centre for Computational Physics at the University of Lincoln has a fantastic opportunity for an enthusiastic Post-Doctoral Research Associate and software developer in the field of quantum methods of materials science to work on the open-source CP2K software.

This role is for 2 years and is a part of Engineering and Physical Sciences Research Council funded project “CP2K For Emerging Architectures And Machine Learning”, EP/W030489/1. You will work with the project lead, Dr Matt Watkins, as well as co-Investigators at the Universities of Cambridge, York, Nottingham, Edinburgh, and University College London, as well as the wider CP2K community worldwide.

CP2K ( ) is a highly efficient and parallelizable open-source atomistic simulation tool able to calculate the energies, forces, and many properties of large collections of atoms at a variety of levels of theory. This makes it a prime candidate for usage in novel machine learning and other data driven areas of research (as well as more traditional materials science work). CP2K is consistently in the top three most used codes on UK national supercomputers (and with a large international user base), is well engineered and is widely used in procurement of HPC resources.  

Currently, we are experiencing a change in basic assumptions in the materials modelling community as machine learning (ML) and data driven approaches transform how we approach scientific problems. The work in this project will help the usability and expose the wide functionality of CP2K to enable scientific creativity in these developing areas. The project offers an opportunity for both technical development and community engagement as part of an international scientific project.

You will join a friendly community at an expanding research Centre for Computational Physics, which focuses on the development and application of computational methods to system modelling, materials design and foundations of physics and astrophysics. We are a part of the fast-rising University of Lincoln located at the heart of the historic city of Lincoln.

You should hold a PhD in a relevant area of Computer Science, Chemistry, Physics, or Applied Mathematics (or a thesis submitted by the start date of the position) or have an equivalent track record in scientific software development.

If you would like to know more about this opportunity, please contact Principal Investigator, Dr Matt Watkins, Professor of Chemical Physics, at [email protected] .  

Further details:

You can find out more about working at Lincoln, and everything that we have to offer, at:

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