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QM/MM developer vacancy at Daresbury Laboratory, ... (No replies)

twk
11 months ago
twk 11 months ago

We currently have a vacancy in the Multiscale Materials and Molecular Science group at STFC Daresbury Laboratory in the UK for an experienced computational scientist to join the team developing the ChemShell multiscale computational chemistry environment (www.chemshell.org).

As part of STFC’s CoSeC programme, you will work closely with the Materials Chemistry Consortium to address priority research areas for multiscale materials modelling on high end computing platforms, including the development of advanced embedding models for materials systems and integration of machine learning approaches into multiscale modelling.

You will also work with STFC’s Ada Lovelace Centre to develop new multiscale techniques that enable close collaboration between computation and the UK’s large scale experimental facilities at Diamond Light Source, ISIS Neutron and Muon Source and the Central Laser Facility.

A particular focus of this role will be the development of general methods for modelling excited electronic states within ChemShell.

This is an open ended position suitable for researchers with established expertise in molecular/materials modelling and a track record of scientific software development.

To find out more about the role and requirements, and for instructions on how to apply, please visit:

https://www.careersportal.co.uk/UKRI-careers/jobs/senior-computational-scientist-multiscale-qm-mm-methods-3445

The closing date for applications is Friday 8th September 2023.

Informal enquiries about the position are welcome. Please contact Prof. Tom Keal (Email: [email protected]) for further details.




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Ab initio (from electronic structure) calculation of complex processes in materials