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Postdoc Positions in Ab Initio Simulation: Marx ... (No replies)

theochem
12 months ago
theochem 12 months ago

Applications are invited for Postdoctoral Research Associate
positions in the Marx Group at Bochum (www.theochem.rub.de)
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
(www.solvation.de) and is deeply involved in the Center for
Solvation Science ZEMOS (www.rub.de/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 http://www.theochem.rub.de/go/cprev.html
and concerning ML at http://www.theochem.rub.de/go/rubnnet4md.html
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
chemistry/physics. Please send your CV and resume as a PDF file to:

Professor Dominik Marx
Lehrstuhl für Theoretische Chemie
Ruhr-Universität Bochum
44780 Bochum, Germany
[email protected] | http://www.theochem.rub.de

At Ruhr-Universität 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.




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Ab initio (from electronic structure) calculation of complex processes in materials