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Computational Chemist

STFC - The Science and Technology Facilities Council - Chemistry and Materials Team

Location: Warrington
Salary: £39,748 to £44,166 gross per annum
Hours: Full Time, Part Time
Contract Type: Fixed-Term/Contract
Placed On: 8th October 2021
Closes: 31st October 2021
Job Ref: 210000Y0

Do you pride yourself as an excellent communicator, both in writing and speaking? Are you able to deliver multiple projects simultaneously? Are you able to independently organise and prioritise identified tasks?

STFC (part of UK Research and Innovation) are seeking a Computational Chemist to join the chemistry and materials team within the Hartree Centre. The team works on a variety of research projects using quantum methods in addition to atomistic and mesoscale simulation and has pioneered the deployment of these methods in industrial product design and optimisation.

We specialise in applying computational chemistry techniques to real industrial problems working with a range of leading companies in industry sectors including energetic materials, home and personal care, agrochemicals and coatings. The role will focus on industrially applicable research projects aligned with the Hartree Centre chemistry and materials programme where we are developing data analytics, modelling, and simulation capabilities to address a broad variety of chemical and materials problems at cutting-edge scale and accuracy.

You will lead and identify contract R&D opportunities for a range of industry clients by carrying out relevant code development and application in the field of materials discovery. You will attract new research opportunities and collaborations with external partners including academia and industry. Actively contributing to the Hartree Centre’s wider programme of work in the area of soft matter, chemistry and materials , algorithms and software, data analytics and machine learning are expected.

To succeed in this role, you will have:

  • Demonstrable leadership in the application of density functional theory to the modelling of condensed matter (including use of DFT software such as GPAW, Quantum Espresso etc.)
  • Experience in other areas of computational chemistry such as atomistic or coarse-grained simulation (e.g. MD, MC, CG etc.)
  • Demonstrable scientific programming experience (e.g., Fortran, C, C++) and/or scripting (e.g, Python). 
  • Familiarity working in a Unix/Linux type environment.
  • Experience in applying data science techniques and machine learning to chemistry/materials challenges.
  • Ability to lead and drive industry engagement with good presentation skills.
  • Excellent communication skills, both written and oral and able to communicate with both technical and non-technical audiences.
  • Advanced problem -solving ability. 
  • Evidence of independent working and thinking must be demonstrated.

Choosing to come to work at UKRI means that you will have access to a whole host of benefits including a flexible working scheme, a Career Average Revalued Earnings pension scheme, 30 days annual leave allowance, access to employee shopping/travel discounts and salary sacrifice cycle to work scheme.

Applications are handled by UK Shared Business Services, to see more details and to apply please visit our job board at CAREERS PORTAL. Please include a covering letter outlining how you fit the role criteria.

The closing date for applications is 31st October 2021.

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