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Date: Tue May 2 02:41:15 2023
Subject: 23.05.02 Postdoc Positions in Ab Initio Simulation: Marx Group
Applications are invited for Postdoctoral Research Associate 
positions in the Marx Group at Bochum ( 
which are available immediately or upon mutual agreement
for two years with possible extensions. The researchers will be 
involved in challenging projects using and/or advancing modern 
ab initio simulation techniques including highly accurate
machine learning extensions (e.g. JCP 148, 2018, 102310;
JCTC 16, 2020, 88; JCTC 18, 2022, 5492; PRL 129, 226001 2022). 
Our reseach is very collaborative and often involves joint 
projects in teams with experimental partners or/and other 
theory groups. Our topics cover e.g. aqueous interfaces, 
vibrational spectroscopy or quantum cryochemistry always using 
and advancing cutting-edge methods such as those based on 
artificial neural networks or path integrals; check our 
recent publications. Candidates with an interest in one or 
several of these topics are encouraged to apply. 

The Center for Theoretical Chemistry at RUB offers an exciting
interdisciplinary research environment and excellent facilities
including several in-house HPC platforms. The Marx Group is 
among the scientific pillars of the Cluster of Excellence RESOLV
( and is deeply involved in the Center for
Solvation Science ZEMOS (, which hosts a 
powerful Core Facility for Simulation. The Research Associates
will take full advantage of being integrated into RESOLV and ZEMOS. 
Furthermore, you will get ample opportunity to actively attend 
international conferences and workshops with full funding.

Information on the simulation techniques we use and develop at 
CTC are accessible via 
and concerning ML at
whereas fundamentals are provided in D. Marx and J. Hutter, 
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 
(Cambridge, 2009). Note that our recent methodological developments 
including those of highly accurate ML-potentials are covered in
our recent research and review articles (e.g. JCP 152, 2020, 210901). 

Candidates should have significant experience in molecular dynamics/
electronic structure and a PhD in computational/theoretical 
At Ruhr-Universitaet Bochum, we wish to promote careers of women 
in areas in which they have been underrepresented, and we would 
therefore like to encourage female candidates to send us their 
applications. Applications by suitable candidates with severe 
disabilities and other applicants with equal legal status are 
likewise most welcome.

Consideration of candidates will begin immediately and continue
until the positions are filled.
Please send your CV and resume as a PDF file to: 

Professor Dominik Marx                      
Lehrstuhl fuer Theoretische Chemie  
Ruhr-Universitaet Bochum              
44780 Bochum, Germany         
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