25.07.07 Postdoc Positions in Machine Learning and Ab Initio Simulations: Marx Group

Computational Chemistry List, Ltd. (CCL); Bochum; Vor Ort; EUR 50.000 - 70.000; Vollzeit

Zusammenfassung

A leading research group in Bochum is seeking Postdoctoral Research Associates to work on advanced projects incorporating machine learning in ab initio simulations. Candidates will engage in collaborative research within an interdisciplinary environment, with opportunities to present at international conferences. A PhD in computational or theoretical chemistry or physics is required.

Leistungen

Funding for international conferences and workshops

Access to HPC platforms

Collaborative research environment

Qualifikationen

• Significant experience in molecular dynamics and electronic structure.
• Interest in advanced machine learning techniques.
• Collaborative mindset for interdisciplinary research.

Aufgaben

• Engage in projects using advanced ab initio simulation techniques.
• Collaborate with experimental partners and other theory groups.
• Attend international conferences and workshops with full funding.

Kenntnisse

Molecular dynamics

Electronic structure

Machine learning

Ausbildung

PhD in computational/theoretical chemistry/physics

Jobbeschreibung

https://server.ccl.net/cca/jobs/joblist/mess0064956.shtml

CCL 25.07.07 Postdoc Positions in Machine Learning and Ab Initio Simulations: Marx Group

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Date: Mon Jul 7 03:01:29 2025
Subject: 25.07.07 Postdoc Positions in Machine Learning and Ab Initio Simulations: Marx Group
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 agreementfor 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. JCTC 18, 5492, 2022; PRL 129, 226001, 2022; PRR 5, 043083, 2023; JCTC 21, 5382, 2025). 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 excitinginterdisciplinary research environment and excellent facilitiesincluding 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 forSolvation Science ZEMOS (www.rub.de/zemos), which hosts a powerful Core Facility for Simulation. The Research Associateswill 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.htmlwhereas fundamentals are provided in D. Marx and J. Hutter, Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Cambridge, 2009). Our more recent methodological advances particularly those based on highly accurate ML-potentials are covered in our recent research and reviews (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. 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 continueuntil 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 theochem^theochem.rub.de | www.theochem.rub.deNOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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