The ILL’s Scientific Computing group (CS) develops and maintains software tools for data reduction, analysis, and atomistic simulations. These tools are grouped together on a numerical platform which integrates Classical Molecular Dynamics and first-principles simulation packages (Ab-initio, DFT); the simulations are performed on a high-performance computing (HPC) cluster.

As part of the ILL's Science Strategy, the CS Group is involved in providing scientists with state-of-the-art numerical tools, incorporating in particular new approaches based on artificial intelligence. In the same context, a number of issues of high societal interest have been identified, one of which relates to batteries: the ILL’s “Battery Hub” is a priority research programme in which the CS group provides simulation support for neutron spectroscopy studies, in other words support for experiments that will be conducted on the instrument suite of the ILL’s Spectroscopy group.  

Although you will be a member of the Scientific Computing group (CS), a significant part of your work will relate to the research topics addressed by the Spectroscopy group, which is responsible for all of the ILL’s neutron spectrometers.