Project leaders: Egbert Zojer, Martin Schultze

Short description:

Metal organic frameworks (MOFs) are a booming class of porous materials, which are envisioned for a variety of applications. For many of these applications, the extent to which they transport heat is central for future device technologies. Nevertheless, there is little systematic knowledge about the relation between the structure of a MOF and its heat-conduction properties.
This project sets out to tackle this pressing question by merging state-of the art theoretical and experimental methodologies with the aim of providing a predictive microscopic understanding thermal transport in MOFs. The PhD scholar working on this project will, on the one hand, simulate thermal transport of MOFs by molecular dynamics approaches, where recently developed machine-learned force fields cleverly parametrized against system-specific ab-initio data appear particularly promising.
On the other hand, he/she will have access to a quantum optics laboratory to realize an ultrafast time domain thermoreflectance setup for measuring thermal conductivities of MOF thin films and correlating the findings with the simulation results. These activities will be strongly supported by experienced PhD/students and Post Docs working in the groups of the project leaders at the Institute of Experimental Physics and the Institute of Solid State Physics.
An appealing feature of this project is the combination of experiments and modelling in a tightly integrated fashion and its incorporation into a larger project cluster working at the forefront of porous materials research.

Requiered qualifications:

• Master degree in Physics, Technical Physics, Advanced Materials Science, Nanoscience, Chemistry with a specialisation in Physical Chemistry
• Excellent control of English (written and orally)
• Interest in working in an interdisciplinary team

Desired qualifications:

• Experience in the atomistic modelling of materials and/or in laser spectroscopy
• Experience in compiling scientific publications and presenting scientific results at conferences

Ao. Univ.-Prof. Dr. Egbert Zojer (Institute of Solid State Physics):	egbert.zojer[at]tugraz.at	(see GOOGLE SCHOLAR PROFILE )
Univ.-Prof. Dr. Martin Schultze (Institute of Experimental Physics):	schultze[at]tugraz	(see GOOGLE SCHOLAR PROFILE )

Please send applications to both listed e-mail addresses
quote the position identification PMWS-P10