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

Postdoc Positions in Machine Learning and Ab Initio Simulations: Marx Group Applicants 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 extension. 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 methods (e.g. PRL 129, 226001, 2022; JPCL 16, 3727 (2025); JCTC 21, 5382, 2025; JCP 163, 134503, 2025). Our research 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 solvation always using and advancing cutting-edge methods such as those based on machine learning combined with 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. Ample opportunity to attend international conferences and workshops with full funding. Candidates should have significant general background in molecular dynamics/electronic structure, experience in machine learning potentials 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 continue until the positions are filled. #J-18808-Ljbffr Computational Chemistry List Home