Jobs in Structural Biology and Related Fields

Computational Scientist (Crystallography)

STFC Rutherford Appleton Laboratory, UK, Harwell, United Kingdom

Application deadline: 09 Aug 2020

The ISIS pulsed neutron source at the Rutherford-Appleton Laboratory in Harwell is a world-leading facility that uses neutron scattering techniques to study materials at the atomic level. Applications exist across a broad range of research areas in chemistry, physics, biology, geology and material sciences, as well as in the engineering and pharmaceutical industries. Amongst the many neutron instruments at the ISIS facility, SXD alone is dedicated to single-crystal neutron diffraction, which is generally recognised as the ‘gold standard’ technique for structural characterisation of materials.

About the role

We require a highly motivated and independent scientist to work in the Scientific Computing Department in a cross-facility collaboration, alongside the SXD team at ISIS and the development teams of DIALS and Mantid at Diamond Light Source and ISIS. The project is to develop the computational methods required for the treatment of diffraction data from SXD and to support the scientific programme on the instrument. You will have good programming knowledge for the development of scientific analysis algorithms, and the ability to adapt existing software packages for use at the SXD beamline. An understanding of crystallography and diffraction methods is highly desirable, in order to develop new routines dealing with complex crystallographic cases and the automation of the data processing flow. An ability to work collaboratively is fundamental. You will interact closely with a postdoc at ISIS on the development of crystallographic correction algorithms, and other colleagues in various groups and departments.

Responsibilities include:

• Research available methods for time-of-flight diffraction experiments
• Extend the DIALS diffraction analysis software for the processing of single crystal diffraction data from the ISIS pulsed neutron source
• Make the resulting neutron diffraction analysis software available within the Mantid package
• Work alongside colleagues at ISIS, the Diamond Light Source and within STFC’s Scientific Computing Department on the development of new data analysis methods. At Band E, coordinate and lead this collaboration.

At Band E only:

• Provide expert data analysis support for users of the SXD single crystal diffractometer at ISIS
• Liaise with external networks and facilities (e.g. the European Spallation Source) to ensure the widest use of the software
• Keep up to date with the scientific literature on neutron diffraction
• Present work at national and international scientific conferences and meetings.

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.