Post-doc position 2026 - AI-Driven molecular graph generation - Amiens, France
Rebecca Dauwe
Dear colleagues,
We are hiring a postdoctoral researcher at the University of Picardie Jules Verne (Amiens, France) for an 18-month position to develop algorithmic and AI-based methods for constrained molecular graph generation applied to chemical structure elucidation from experimental mass spectrometry (LC–MS) data. The project combines symbolic AI, constraint programming (SAT/CSP), graph theory, machine learning, and cheminformatics.
Research focus:
Fragment- and building-block-based molecular graph generation for plant metabolites
Machine learning to mine metabolite databases and extract fragment libraries and priors
Constraint-based enumeration of chemically valid structures matching molecular formulae and MS/MS fragmentation patterns
Efficient exploration of large combinatorial chemical spaces (isomorphism-free generation, pruning, canonicalization)
Integration into mass-spectral structure elucidation pipelines and benchmarking against existing approaches
Candidate profile:
PhD completed before the start of the position
Strong background in AI, especially combinatorial problem solving and constraint programming
Experience in cheminformatics, molecular graphs, or computational chemistry is a plus
Join our labs!
Interdisciplinary research environment: Work at the interface of AI, cheminformatics, and plant metabolomics through a close collaboration between the MIS laboratory (AI, symbolic reasoning, machine learning) and the BIOPI laboratory (plant metabolite chemistry, LC–MS, computational metabolomics).
Cutting-edge computational resources: Access to dedicated computing infrastructure and the MatricS UPJV platform for large-scale computation, algorithm development, and experimentation.
High quality of life in Amiens: A welcoming, affordable city with a rich cultural heritage, a vibrant calendar of cultural events, and excellent sports facilities. Amiens also has an international academic atmosphere and is just one hour from Paris.
📅 Start date: 2026 (
Review of applications will begin immediately and continue until the position is filled.
📍 Location: Amiens, France
💼 Contract: 18-month postdoctoral contract, salary aligned with French public-sector rates
How to apply
Please send a CV, motivation letter, and one recommendation letter (or referee contact details) to: rebecc...@u-picardie.fr
Please feel free to share with suitable candidates!
Best regards,
Rebecca Dauwe
Assistant Professor
University of Picardie Jules Verne