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Up Directory CCL 23.03.21 Post-doc: proton transfer in confinement (QM/MM; MD+MC), Duisburg, Germany
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Date: Tue Mar 21 12:46:55 2023
Subject: 23.03.21 Post-doc: proton transfer in confinement (QM/MM; MD+MC), Duisburg, Germany
The Vila Verde group ( in the Physics 
Faculty of the university of Duisburg-Essen (DUE) seeks an outstanding post-doc (m/f/d) to 
investigate the mechanism of proton transfer in reverse micelles using i) large-scale quantum 
mechanics/molecular dynamics (QM/MM), and ii) molecular dynamics (MD) simulations with 
classical force fields analysed in a Monte Carlo framework.   The project is embedded in the 
RESOLV Cluster of Excellence, which supports the interdisciplinary and collaborative work of 
~200 scientists in multiple universities and institutes of the Ruhr area to clarify how solvents 
controls and mediates chemical reactions.  The cluster and the DUE provide superb networking
and development possibilities for young post-docs.

Necessary qualifications

	- Ph.D. in Computational Chemistry or Physics
	- Demonstrated ability to carry out independent and collaborative research.
	- Solid understanding of relevant computational methodologies and fundamental chemistry, 
such as quantum mechanics, statistical mechanics, rate theories 
	- Demonstrated extensive experience with computational packages for large scale QM/MM 
	- Demonstrated ability to communicate in English, technically and interpersonally, orally and 
in writing.

Desired Qualifications

	- Experience with MD simulations with classical, atomistic force fields
	- Experience developing classical force fields making use of virtual sites

You can expect 

	- A varied and diverse range of tasks in a research-intensive environment 
	- The possibility to advise BSc and MSc students and to teach short courses
	- A cooperative project with regular meetings (online and face-to-face) with experimental 
	- A non-discriminatory working environment with respectful, appreciative cooperation
	- A pleasant working atmosphere in a dynamic team
	- A family-friendly approach with care for your children and advice on your caring 
	- A wide range of training and further education opportunities, individual induction training
	- Discounted company ticket
	- Attractive sports and health offers (university sports)
	- The possibility of working from home

Appointment date:  as soon as possible; no later than 01.09.2023

Contract: 24 Months, full-time, paid on the TV-L scale level 13

The University of Duisburg-Essen is a young, innovative university in the heart of the Metropole 
Ruhr. Excellent in research and teaching in diverse areas of knowledge, ranging from medicine to 
social sciences to physics and chemistry, we think in terms of possibilities instead of limits and 
develop ideas with a future.  We have ~40000 students, of which ~5500 are graduate students 
and ~6000 are international students.   We live diversity, promote potential and are committed to 
educational equality worthy of the name.  
The Physics Faculty ( has 31 
professorships with a track record of excellent research, visible in the multiple EU- and
 German-funded coordinated research programs currently active.

The University of Duisburg- Essen pursues the goal of promoting the diversity of its members. 
(see It aims to increase the proportion of women among 
academic staff and therefore strongly encourages relevantly qualified women to apply. In 
accordance with the NRW Equal Opportu-nities Act, women with equal qualifications are given 
preferential consideration.
Applications from suitable severely disabled persons and persons of equal status within the 
meaning of  2 para. 3 SGB IX are welcome.
Application:  Send your application materials to  with email 
subject "Post-doc application: proton transfer in confinement". The following application materials 
must be provided in English:
	- cover letter: highlight how your CV corresponds to the necessary and desired qualifications of 
the position; mention specific examples from your academic and research experience; 
	- CV: include contact details of referees, including their institutional email;
	- BSc. and MSc. transcripts of record and certificates: the transcripts of record should list 
subject names and grades, with an explanation of the grading system
	- PhD dissertation: if not in English, then provide at least first-authored article 

Applications will be evaluated immediately; evaluations will continue until the position is filled.
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Modified: Tue Mar 21 16:46:55 2023 GMT
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