Doctoral scholarship holder in machine learning for circular polyurethane design
The University of Antwerp is offering a full-time doctoral scholarship holder position in
machine learning for circular polyurethane design
within the Department of Biochemical and Chemical Engineering, Faculty of Applied Engineering.
The PhD project focuses on developing a quantum-to-plant model to predict polyurethane recyclability and separation energy from formulation. The research combines machine learning, cheminformatics, computational chemistry, polymer chemistry, molecular dynamics, and techno-economic assessment. You will build predictive models linking molecular structure (including SMILES descriptors, fingerprints, and graph representations) to reaction rate constants, connect molecular dynamics outputs to depolymerization mixture thermodynamics, and relate composition to separation energy and cost.
The work will be carried out in close collaboration with quantum chemists, reaction engineers, MD specialists, and experimentalists. The role includes preparing and defending a PhD thesis, developing a research plan and methods with supervisors, reporting progress to supervisory committees, presenting at scientific conferences, publishing in the scientific literature, and contributing to ongoing research projects. There are also limited teaching and/or research management support tasks within the faculty.
Eligibility highlights: applicants should hold, or be close to completing, a master’s degree in (bio)chemistry, (bio)chemical engineering, material/polymer sciences, or (bio)cheminformatics. Excellent academic results are expected. Programming experience in Python or C++, familiarity with machine learning/deep learning, computational chemistry, and polymer chemistry are advantageous. A good command of English is required.
Funding is provided as a doctoral scholarship for one year, renewable for up to four years after positive evaluation. The scholarship includes a monthly stipend according to the University of Antwerp’s rates, plus ecocheques, an internet-connectivity allowance, and either a bicycle allowance or full reimbursement of public transport costs. Most work will be based at Campus Groenenborger in Antwerp. The planned start date is 1 November 2026 or as soon as possible thereafter.
Applications must be submitted online by
31 August 2026
(midnight Brussels time). Required documents include a motivation letter and an academic CV with a complete transcript of records. Selection tests are scheduled for 8 September 2026 and interviews for 15–16 September 2026.
