[Neutron] Job opportunity for a Computational Crystallographer at European Spallation Source ERIC

Karin Vandenborre karin.vandenborre at ess.eu
Fri Jul 16 13:35:56 CEST 2021

The European Spallation Source, ESS, a partnership of European countries, is hiring motivated and inspired people to plan, design, and construct the world’s most powerful neutron source. We seek ambitious, talented people in different fields who are excited about playing a part in the future of science in Europe.

ESS can offer a variety of things, such as passionate and international colleagues, a vibrant melting pot of diversity, and a challenging, exciting and high paced work environment. We value and need expertise, innovative minds and great ways of leading and interacting with people from all over the world.

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The ESS has jointly with Lund University been fortunate to receive a grant from the Swedish Research Council to research and develop new methodologies for processing and analysing data from the instrument NMX. NMX is optimized for neutron macromolecular crystallography and is currently under construction.

For this reason, the ESS, Data Management and Software Centre (DMSC) in Copenhagen, Denmark invites applications for a Computational Crystallographer in the Data Reduction, Analysis, and Modelling (DRAM).

The DMSC is a division of the Science Directorate and is responsible for the design, development and construction of the computer software and hardware to be used for the operation and data analysis of the experiments to be carried out on the neutron scattering and imaging instruments to be constructed at ESS.

The DRAM group is in charge of providing support and software for data reduction, analysis and modelling for all the beamlines at ESS. It currently has about 15 members with a mixed background in areas such as scientific computing and software development, (computational) chemistry and physics, molecular biology and hard condensed matter. The group engages in international open source software and research projects, particularly with other European neutron sources, but also with photon sources and universities, all with the aim of increasing the scientific impact of the ESS user program. Examples of such projects are scipp (https://scipp.github.io), easyscience (https://easyscience.software), and SasView (https://www.sasview.org).  As indicated by those projects, the group’s preferred programming languages (and that of the field) are Python and C++ with graphical user interfaces developed in the Qt framework. In the future the group will support users of ESS with analysis and modelling associated with their experiments, as well as developing software and further developing the field.

Main responsibilities
In this role your main responsibility will be the design and development of a data processing pipeline optimized for the ESS instrument NMX, which is optimized for neutron macromolecular crystallography. The data pipeline should:

  *   be optimized for time-of-flight Laue diffraction
  *   integrate new sophisticated methods for identifying the position of hydrogen
  *   work with the scientific computing infrastructure delivered by the DMSC
  *   be developed following modern software development practices using C++ and Python.

New methods will be developed in close collaboration with Prof. Ulf Ryde’s group at Lund University (https://www.teokem.lu.se/people/seniors/ryde/), the NMX instrument team at ESS (https://ess.eu/instruments/nmx), and colleagues at DMSC. Collaboration is also expected with the DIALS team (https://dials.github.io) at Diamond Light Source and the ISIS Muon and Neutron Source in the UK.

To be successful in this position you need to have:

  *   Experience with analysis of crystallographic data
  *   A PhD in a STEM education
  *   Proven programming experience in C++ and Python or similar language
  *   Ability to work collaboratively on open source software projects

Desirable qualifications include:

  *   Experience with neutron scattering and analysis of associated data
  *   Experience with macromolecular crystallography
  *   Contributions to large collaborative software development projects
  *   Familiarity with modern software development practices.
  *   Prior experience with developing user software
  *   Experience with using Python for solving scientific problems.
  *   Proven record in object-oriented programming.

Our work environment is characterized by an international atmosphere with highly skilled personnel. You must therefore enjoy diversity and have a personality suited for the challenges it presents. Our work environment is exciting and forward thinking and relies heavily on personal initiative.

Duration & Location
The position is time limited for minimum two years, but negotiable within the terms of the grant.

Your work place will be situated in Copenhagen, Denmark.

Application & Contact
Please provide your curriculum vitae and cover letter in English by submitting your application on our website:


Please note we only accept applications via the ESS website or ESS intranet.

The deadline for applications is September 1st, 2021.

For more information regarding the ESS recruitment process in general, please follow this link https://www.ess.eu/ess-recruitment-process

For further information regarding the position, please contact the recruiting manager, Group Leader Data Reduction, Analysis, and Modelling, Thomas Holm Rod, Thomas.HolmRod at ess.eu<mailto:Thomas.HolmRod at ess.eu>

For further information regarding the recruitment process, please contact HR Officer, Karin Vandenborre, karin.vandenborre at ess.eu<mailto:karin.vandenborre at ess.eu>

We look forward to receiving your application!



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