Postdoc Positions in Machine Learning and Ab Initio Simulations: Marx Group, Ruhr-Universitaet Bochum

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 notably in the frame of 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 www.theochem.rub.de/go/cprev.html and concerning ML at 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 general 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 fuer Theoretische Chemie  
Ruhr-Universitaet Bochum              
44780 Bochum, Germany         
theochem^-^theochem.rub.de | www.theochem.rub.de

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.