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Computational Scientist/Senior Computational Sci ... (No replies)

alin
2 years ago
alin 2 years ago
Dear Colleagues,
 

We have an exciting opportunity for a number of Computational Scientists to join the Scientific Computing Department’s team developing databases for machine learning interatomic potentials. You will be doing ground-breaking work alongside leading researchers at the cutting-edge of machine learning and modelling.

 

Location: Daresbury Laboratory, Warrington OR Rutherford Appleton Laboratory Harwell, Oxfordshire

Closing date: 25th October 2022


 

About the Role

The work forms part of the recently funded Physical Science Data Infrastructure PSDI [1]. PSDI aims to accelerate research in the physical sciences by providing a data infrastructure that brings together and builds upon the various data systems researchers currently use. The post will focus on i) providing databases and develop an API for Machine learned interatomic potentials, MLIP, to the community. ii) creating workflows for benchmarking, training and validation of MLIPs, iii) exploitation of MLIP to explain experimental results provided by ISIS Neutron and Muon Source.

The post will be based at Daresbury Laboratory or Rutherford Appleton Laboratory.  

A central tenet of the initiative is knowledge exchange. You will attend regular meetings with the other researchers and software engineers within STFC and UK universities and present your work at larger meetings of the community and national and international conferences. We will also interact with other related activities in the STFC Scientific Computing Department and its partners.

We are looking for people with:

  • A PhD (or equivalent experience) in a physical science or other relevant field
  • Evidence of modern software engineering
  • Knowledge of at least one of modern dialect of a programming language, eg C, C++ or Fortran
  • Knowledge of a scripting language, e.g. Python
  • Experience in a Unix/Linux command line environment
  • Knowledge of databases for materials science is an advantage
  • Working knowledge of at least one of: Machine learning for Interatomic potentials, density functional theory and post or classical dynamics
  • Examples of working in a team
  • High performance computing knowledge and new technologies for scientific computing an advantage
  • Good written communication skills as exemplified by technical reports, peer reviewed papers and/or similar material (e.g. a dissertation as part of a postgraduate degree)

You will also be asked to provide a relevant sample of code that you have written.

The Scientific Computing Department has an excellent track record in high-end computing, scientific software development and related research. The group has access to a number of HPC platforms, as well as access to the ARCHER2 national supercomputer and some Tier 2 HPC centres.

What we can offer you

STFC is an open and inclusive work environment, committed to promoting equality, diversity, and inclusion, and we are committed to developing our staff, and training will be provided in relevant areas.

STFC offers a working environment and benefits package designed to provide an excellent work/life balance. For this opportunity, we offer a flexible working scheme, with additional benefits including an exceptional index linked pension scheme, 30 days leave plus 10 public holidays, an onsite subsidised nursery, access to employee shopping/travel discounts, salary sacrifice cycle to work scheme, and social activities and societies.

more details and how to apply https://www.careersportal.co.uk/UKRI-careers/jobs/computational-scientist-senior-computational-scientist-2476

for informal enquires contact Alin Elena at [email protected]
 
Regards,
Alin
 



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