PhD Position in Computer Simulations of Ion and Electron Transport in Redox-Active Polymers

Updated: about 2 months ago
Location: Germany,
Job Type: FullTime
Deadline: 17 Dec 2020

A PhD position (salary level TV-L E13, 50%) on the topic

Computer simulations of ion and electron transport in redox-active polymers

is open in the group of Prof. Andreas Heuer at the Institute of Physical Chemistry of the University of Muenster (Germany) for a 3-year period. The application deadline is 17 December 2020.


Our group has a strong background in studying the microscopic properties of complex systems such as electrolytes, polymers, glasses, and (biological) soft matter from a theoretical perspective using computer simulations. In this project, the successful candidate will perform both classical molecular dynamics simulations and quantum chemistry calculations to study the ion and electron transport in redox-active polymers, which are promising electrode materials for next-generation batteries. In particular, a hybrid scheme, in which classical molecular dynamics simulations are augmented by quantum chemical information about the electron hopping dynamics, will be implemented. These activities will be carried out in close collaboration with experimental groups working on the synthesis and characterization of these materials within the priority programme Polymer-based Batteries (SPP 2248), which is funded by the German Research Foundation (DFG). In this way, the insights gained in this project can directly be transferred to the optimization of novel organic electrode materials. The work will be supervised by Dr. Diddens (Helmholtz-Institute Muenster).

We are looking for a highly motivated person with a completed diploma or master degree (or equivalent) in physics, chemistry, materials science, or a related field of study. Applicants should have an excellent background in atomistic simulations of complex systems and theoretical chemistry. Programming experience in at least one programming language and basic knowledge of Unix-like operating systems are mandatory. Furthermore, excellent cooperation and communication skills in written and spoken English are required for frequent exchange with internal and external collaborators.

We offer excellent research conditions and a vibrant working atmosphere. At the University of Muenster, the Institute of Physical Chemistry has a long-term expertise in the research on polymeric ion conductors, whereas the neighboring institutions Muenster Electrochemical Energy Technology (MEET) and the Helmholtz-Institute Muenster (HI MS) are internationally renown for their research on batteries, making Muenster a key location for research on electrolytes.


The University of Muenster is an equal opportunity employer and is committed to increasing the proportion of women academics. Consequently, we actively encourage applications by women. Female candidates with equivalent qualifications and academic achievements will be preferentially considered within the framework of the legal possibilities. The University of Muenster is committed to employing more staff with disabilities. Candidates with recognized severe disabilities who have equivalent qualifications are given preference in hiring decisions.


Applicants are requested to send a statement of interest, a full CV including certificates as well as names and addresses of at least two references to Ms. Andrea Staubermann via until 17 December 2020.

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