One PhD position in Computational Chemistry/Materials Science is available in the group of Dr. Ralf Tonner at the Department of Chemistry and Material Sciences Centre of Philipps-Universität Marburg/Germany. 

The position is available from October 01 2015.

The project will deal with

„Theoretical description of chemical reactions involved in organic and inorganic functionalization of semiconductors“.

With the help of ab initio computations, elementary steps in the deposition process for functionalized semiconductors will be investigated including gas phase reactivity and reaction mechanisms at the surface. Periodic density functional theory, quantum chemistry, molecular dynamics and kinetic modelling are key methods here. Analysis of the electronic structure in molecular and periodic systems is a specific expertise in our group and will guide the computational experiments.

The position is situated in the framework of the interdisciplinary Research Training Group (RTG) "Functionalization of semiconductors". This RTG was established in 2012 as a project of the German Science Foundation (DFG) at Philipps-Universität Marburg.
It is a collaborative project of the Departments of Chemistry and Physics and the Material Sciences Centre. The RTG is committed to basic and applied research in a technologically highly relevant area. It aims amongst others in the integration of III/V-semiconductors on Si-substrates. A further research emphasis is put on the understanding and application of self-assembly of novel organic functionalities on planar semiconductors as well as on nano-particles.

Candidates should hold an excellent University degree in natural sciences (e.g. physics, chemistry, material sciences; Master/Diploma or equivalent). Experience in at least one of the following topics is required: quantum chemistry, density functional theory, simulation of reactivity in extended systems. Knowledge in kinetic modelling, ab initio molecular dynamics or computation of systems relevant for material science is of advantage. Applicants should be enthusiastic and self-motivated and have a genuine interest in working in an interdisciplinary environment. Excellent language skills in German or English, flexibility, and ability for team-work are required.
The project will involve close collaboration with experimental groups from synthetic chemistry, experimental and theoretical physics and material science at the Philipps-Universität Marburg.

Please send your application with the reference fb13-0011-wmz-2015 electronically to [email protected].

The full text of the official job advertisement.

More information is found on the following websites: 

1) RTG

2) Tonner group