Jobs in Structural Biology and Related Fields

Software Developer/Scientist - Crystallography

STFC Rutherford Appleton Laboratory, UK, Harwell, United Kingdom
Application deadline: 02 Aug 2020

The ISIS pulsed neutron source at the Rutherford-Appleton Laboratory in Harwell is one of the world-leading facilities that uses neutrons to study materials at the atomic level across various disciplines in chemistry, physics, biology, geology and material sciences, as well as in the engineering and pharmaceutical industries. The Crystallography Group at ISIS contributes to the international success of ISIS by operating 9 neutron instruments for diffraction and imaging studies.

SXD is the only instrument dedicated to single crystal diffraction, which is recognised as the ‘gold standard’ technique for structural characterisation. SXD works in time-of-flight with polychromatic neutron beams, i.e. collecting large volumes of diffraction data at each crystal orientation. Unfortunately, the treatment of the diffraction data from a pulsed source, and in particular the wavelength-dependent corrections for extinction and absorption effects, are much more complex than on monochromatic steady-source instruments. In this context, we are looking for a highly motivated and independent scientist to extend and develop the necessary software for correction and processing of single crystal neutron diffraction data, in order to provide even more accurate and detailed structural information and boost the scientific output of the SXD user community.

Your responsibilities will include:

At Band D:

  • Examining existing software and determining requirements for new/modified algorithms according to the needs in processing single crystal diffraction data from a pulsed source such as ISIS
  • Writing and coding individual algorithms according to specifications
  • Testing and correction of software programs
  • Developing user interfaces where necessary
  • Writing the required documentation to support the use of the new programs
  • Providing data analysis support for users of the SXD single crystal diffractometer at ISIS
  • Presentation of work at national and international conferences and meetings.

At Band E:

  • Coordination of feasibility studies to design software solutions for the development of the analysis software with colleagues in the MANTID software team at ISIS, the Diamond Light Source and STFC’s Scientific Computing Department
  • Evaluation of existing software and implement new solutions according to the requirements of single crystal diffraction experiments
  • Liaison with external networks and facilities (e.g. the European Spallation Source) to ensure the widest use of the software
  • Pursuit of an independent research programme, linked to the activities of the ISIS Crystallography Group.

Organisation Description

UK Research and Innovation is a new entity that brings together nine partners to create an independent organisation with a strong voice for research and innovation, and a vision to ensure the UK maintains its world-leading position in research and innovation. More information can be found here.

The Science and Technology Facilities Council is a world-leading multi-disciplinary science organisation, and our goal is to deliver economic, societal, scientific and international benefits to the UK and its people – and more broadly to the world.

More information, including how to apply, can be found here.

Harwell, United Kingdom

Software Developer/Scientist - Crystallography