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

Computational Chemistry List, Ltd. (CCL); Bochum; Vor Ort; EUR 45.000 - 60.000; Vollzeit

Zusammenfassung

A leading research group in computational chemistry is seeking a Postdoctoral Research Associate in Bochum, Germany. The role involves advanced research on machine learning and simulation techniques, collaboration with experimental partners, and participation in conferences. A PhD in a relevant field is required, along with experience in molecular dynamics and electronic structure methods. The position offers excellent infrastructure and funding opportunities for research activities.

Leistungen

Access to cutting-edge infrastructure

Conference funding

Qualifikationen

• PhD required in a relevant field such as computational or theoretical chemistry.
• Experience in molecular dynamics and electronic structure methods is essential.
• Interest in advanced simulation methodologies and machine learning applications.

Aufgaben

• Conduct research on ab initio simulation techniques.
• Collaborate on projects with experimental partners.
• Explore various topics using machine learning and simulation techniques.
• Leverage HPC platforms for research.
• Attend conferences and workshops with funding.

Kenntnisse

Molecular dynamics

Electronic structure methods

Machine learning

Ausbildung

PhD in computational/theoretical chemistry or related field

Jobbeschreibung

Job listing: https://server.ccl.net/cca/jobs/joblist/mess0066716.shtml

Postdoc Positions in Machine Learning and Ab Initio Simulations – Marx Group

We invite applications for Postdoctoral Research Associate positions in the Marx Group at the University of Bochum (www.theochem.rub.de). Positions begin immediately and run for two years, with possible extensions.

Responsibilities

• Conduct research on modern ab initio simulation techniques, particularly highly accurate machine‑learning extensions (e.g., JCTC 18, 5492, 2022; PRL 129, 226001, 2022; PRR 5, 043083, 2023; JCTC 21, 5382, 2025).
• Collaborate on joint projects with experimental partners and other theory groups.
• Explore topics such as aqueous interfaces, vibrational spectroscopy, and quantum cryochemistry using artificial neural networks or path integrals.
• Leverage HPC platforms and the Core Facility for Simulation at ZEMOS.
• Attend international conferences and workshops with full funding.

Qualifications

• PhD in computational/theoretical chemistry, physics, or a related field.
• Significant experience in molecular dynamics and electronic structure methods.
• Interest in machine‑learning potentials and advanced simulation methodologies.

Additional Information

The Marx Group is a key pillar of the Cluster of Excellence RESOLV (www.solvation.de) and the Center for Solvation Science ZEMOS (www.rub.de/zemos). You will have access to cutting‑edge infrastructure and conference funding.

How to Apply

Send your CV and resume as a PDF file to Professor Dominik Marx, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany, at theochem%theochem.rub.de (replace % with @ to send). Mention that you learned about this job via the Computational Chemistry List Job Listing at https://server.ccl.net/jobs.

Women, persons with disabilities, and applicants with equal legal status are especially encouraged to apply. Consideration will begin immediately and continue until the positions are filled.