Post-Doctoral Research Associate, Software Development Position at UNIVERSITY OF LINCOLN


School of Mathematics and Physics

Location: lincoln

Salary: From £34,304 per year
Please note that this position is 36 month fixed term and full time 37 hours

Closing Date: Monday, July 18, 2022

Date of interview: Thursday 04 August 2022

Reference: COS894

The Center for Computational Physics at the University of Lincoln offers a fantastic opportunity for an enthusiastic postdoctoral researcher and software developer in the field of quantum methods of materials science to work on the open source CP2K software. The position is for 3 years and is part of the Engineering and Physical Sciences Research Council funded project “CP2K for Emerging Architectures and Machine Learning”, EP/W030489/1. You will work with the project leader, Dr Matt Watkins, as well as co-investigators from the universities of Cambridge, York, Nottingham, Edinburgh and University College London, as well as the CP2K community worldwide.

CP2K ( is a highly efficient and parallelizable open-source atomistic simulation tool capable of calculating the energies, forces and many properties of large collections of atoms at different levels of theory. This makes it a prime candidate for use in new machine learning and other data-driven research areas (as well as more traditional materials science work). CP2K is consistently in the top three most used codes on UK domestic supercomputers (and with a large international user base), is well designed and is widely used in HPC resource provisioning.

Currently, we are seeing a shift in basic assumptions in the materials modeling community, as machine learning (ML) and data-driven approaches are transforming the way we approach scientific problems. The work of this project will contribute to usability and expose the broad functionality of CP2K to enable scientific creativity in these developing fields. The project provides an opportunity for both technical development and community engagement as part of an international science project.

You’ll join a friendly community in a growing research center for computational physics, which focuses on the development and application of computational methods to systems modeling, materials design, and the foundations of physics and science. ‘astrophysics. We are part of the thriving University of Lincoln located in the heart of historic Lincoln.

Please send inquiries about the project to the Principal Investigator, Dr Matt Watkins: [email protected]

You must hold a PhD in a relevant field of computer science, chemistry, physics or applied mathematics (or a thesis submitted before the start date of the position) or have equivalent experience in software development scientists.


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