The Institute of Materials Physics in Space is one of the leading institutes worldwide in the exploration of fundamental physical properties and the solidification of metallic li­quids, soft matter, and granular systems. In addition to experimental work in the labo­ratory and in microgravity, the institute works on computer simulations and theory to un­derstand the physical phenomena that occur.

The Quantum Computer Initiative is a major project of the German Aerospace Center in the development and use of quantum computers. In the field of materials physics, the initiative aims to lay the foundations for the future effective use of quantum hardware and corresponding algorithms.

In the field of molecular and ab initio calculations, fundamental progress is expected from the utilization of quantum hardware. These new opportunities shall be combined with existing theoretical and experimental work at DLR and ICTP on structure and dyna­mics of water. Here, analytical predictions shall be refined and compared with numerical calculations both classical and quantum. Date from both experiments as well as compu­ter simulation studies shall be analyzed.

As a part of this initiative, you will be responsible for the following tasks:

• Development and extension of classical and quantum computer algorithms for the calculation of structures in water using ab initio and molecular dynamics methods
• Development of software to use available hardware as well as quantum hardware
• Publication of results in scientific journals and presentations at international scientific conferences

The dissertation work shall be performed at DLR in Cologne in collaboration with the International Centre for Theoretical Physics (ICTP) in Trieste, Italy.