The objectives of the ILL Theory group are both to provide theoretical support to ILL scientists and users and to develop its own projects on neutron-related subjects. In this respect it favours long-term scientific collaborations and tries to cover a wide range of scientific domains.

Our scientific activity thus covers subjects ranging from strong correlation in condensed matter to the simulation of cell membranes in biophysics. We also use a variety of techniques, from analytical methods to Monte-Carlo simulation and ab-initio electronic structure calculations. As our aim is to be an effective support to ILL instrument scientists and ILL users, most of our work is directly related to experimental projects. To be efficient in providing theoretical support, however, requires that we also spend some time developing new methods.

Your tasks
The goal of the mission is to work on ab-initio electronic structure and spectroscopic calculations in strongly correlated quantum materials with a special focus on magnetic and multiferroic systems.

• The successful candidate will work on specific compounds, in close collaboration with experimentalists.
• The candidate will use ab-initio methods to develop effective models able to bring a coherent understanding of the experimentally observed properties of specific compounds. A special focus will be given to the understanding of neutron diffraction data, such as magnetic structure, magnetic excitations, etc.
• The candidate will potentially participate in the building of databases on magnetic systems for further machine learning.