The goal of the project ”Method and software development for solving the joint problem of x-ray diffraction and x-ray spectroscopyis" is to develop a novel reconstruction method that combines coherent x-ray diffraction and x-ray spectroscopy and generates a refined elec-tron-density map of the underlying species, capable of reconstructing valence-electron den-sity responsible for bonding. Therefore, the following duties occur:
- Developing a unified representation of elastic x-ray scattering and x-ray emission spectros-copy based on an appropriate electronic orbital representation in order to couple the 2 re-construction problems,
- Extension of the field of quantum crystallography to additionally incorporate x-ray emis-sion spectroscopy,
- Testing different reguarlization methods and minimization algorithms on numerically generated diffraction and spectral data,
- Proof of concept on experimental data,
- Publication and dissemination of results.
The candidate should have a PhD in applied mathematics or theoretical physics. A research background in theoretical AMO physics, theoretical x-ray crystallography or applied mathematics with a focus on inverse problems and optimization is beneficial. Moreover, experience in one or several of the following areas is highly desirable: regularization theory, nonlinear optimization, numerical physics, theoretical x-ray spectroscopy, electronic structure calculations, theoretical x-ray crystallography. A strong record and interest in programming and code development and excellent command of spoken and written English is exptexted.