The projects deal with development and application of novel, accurate approaches for spectroscopy and / or study of functional compounds (e.
g. for sustainable hydrogen production).
Various directions for the projects are possible, e.g. (vibrational) spectroscopy with ab initio molecular dynamics, nonadiabatic dynamics or enhanced sampling / wavefunction-based methods for catalysis.
The projects can be carried out in close collaboration with experimental groups.
The candidate must hold an excellent Master degree in chemistry, physics, or related, and have profound English skills. The successful candidate will be highly creative, ambitious, and motivated.
Programming skills are required. Very good knowledge about electronic structure theory, molecular dynamics, and (transition metal-based) catalysis is an advantage.
What we offer
We offer an inspiring environment with cutting-edge resources, access to world-leading supercomputers, and high-profile interdisciplinary collaborations.