Fachgebiet Theoretische Chemie

Postdoc Position in Computational Modeling of Clay Minerals


We are looking for a postdoctoral coworker (f,m,d) to support a computational project on iron substitutions in clay minerals. This running project is part of an interdisciplinary cooperation with mainly experimentally working groups from mineralogy, geology, physics, chemistry, soil science, and microbiology. This cooperation is funded by the German ministry of economy and energy. It is concerned with the characterization of clays, their properties, and changes regarding their usage in a geological repository for radioactive waste. In our project specifically the distribution and redox behavior of iron in clay minerals inspected by computational modeling. the calculations are carried out on our own Linux cluster and at the supercomputers of the Leibniz-Rechenzentrum in Garching.The results help to to understand the relation between composition and properties of clays. This information is useful for a broad range of applications of clays and also in soil science and agriculture.


Position

The position 100% TV-L E13 is available now until the end of the year with the opportunity for elongation
at Fachgebiet Theoretische Chemie at the TUM School of Natural Sciences at the campus in Garching. 

As an equal opportunity and affirmative action employer, TUM explicitly encourages applications from women and others who would bring additional diversity to the university's research and teaching strategies.

Preference will be given to disabled candidates with essentially the same qualifications.


Tasks

Carry out quantum chemical calculations on iron substituted clay minerals.
Extend and improve models of iron substitutions in clay minerals with the goal to characterize their redox properties.
Documentation, evaluation and publication of results.
Close collaboration in the group.
Interact with partners in the cooperative project.
Represent the project on regular workshops of the cooperation and at national and international conferences. 


Desired Expertise:

A PhD in chemistry, physics, mineralogy, or materials science.
Background knowledge in solid state chemistry and/or physics or mineralogy.
Practical experience with quantum mechanical periodic solid state calculations,
preferentially with the software VASP.
Practical experience with computations on (high performance) parallel computers.
Knowledge of Linux and some programming and scripting.
Knowledge of Linux system administration is favorable.


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Kontakt: Dr. S. Krüger, krueger@ch.tum.de

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