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PhD position: Multi-scale modelling approach to ... (No replies)
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A PhD position is available at the Chair of Theoretical Chemistry, Technical University of Munich under the supervision of Dr. Mie Andersen and Prof. Karsten Reuter.
For more information about the group, please visit: http://www.th4.ch.tum.de
The goal of the project is to explore a novel route to the fabrication of two-dimensional (2D) materials such as graphene, hexagonal boron nitride, silicene, and germanane involving gas-phase precursors reacting on a molten catalyst surface. The successful candidate will apply a multi-scale modelling approach. The elementary processes at the atomic scale will be studied using density functional theory (DFT) or its tight-binding version (DFTB). The obtained mechanistic insight will then serve as input for kinetic Monte Carlo simulations of the growth process. The project is part of a larger European collaboration involving experimental researchers from the Netherlands, France and Greece.
A background in chemistry, physics, materials science or similar is required. Prior knowledge and experience in electronic structure theory, UNIX based operating systems and a scripting language (e.g. Python) would be beneficial, but is not necessary.
Evaluation of applications will start immediately. The exact starting date can be negotiated, but should preferable be in spring 2017.
Applications and enquiries should be directed to Dr. Mie Andersen (mie.andersen .at. ch.tum.de).