PhD in Chemical Machine Learning: The Theoretical and Computational Chemistry group (QTCOVI) at the University of Oviedo invites applications for a four-year PhD position under the supervision of Prof. Ángel Martín Pendás. The research focuses on integrating Quantum Chemical Topology (QCT) with Chemical Machine Learning (CML) to develop interpretable and transferable AI models in chemistry.
PhD Opportunity in Chemical Machine Learning – University of Oviedo
Scholarship Details
| Designation | PhD Candidate (4-year position) |
|---|---|
| Research Area | Chemical Machine Learning, Quantum Chemical Topology (QCT), Theoretical and Computational Chemistry |
| Location | Faculty of Chemistry, University of Oviedo, Spain |
| Supervisor | Prof. Ángel Martín Pendás |
| Start Date | Late 2025 or Early 2026 |
| Duration | 4 years |
Eligibility / Qualification
- Required Degrees:
- BSc in Chemistry, Physics, or Materials Science
- MSc in a related field (must qualify for the Doctoral Program at University of Oviedo by the time of incorporation)
- Required Skills:
- Strong background in theoretical chemistry and/or physics
- Solid computational and/or programming skills
- Excellent written and oral communication in English
- Preferred Experience (Highly Valued):
- Development of machine learning architectures for chemical applications
Job Description
The selected PhD candidate will:
- Develop new methodologies combining QCT and CML.
- Contribute to building the AIM4ML database of local quantum mechanical properties.
- Design and implement novel AI architectures for QCT applications.
- Work within a stimulating research environment with access to high-performance computing resources.
- Participate in international mobility programs, conferences, and training schools.
How to Apply
Interested candidates should send the following documents to Prof. Ángel Martín Pendás by email:
- Cover Letter
- Brief Résumé (CV)
- Contact information of two references
📧 Email Subject Line: “FPI 2025 Application – QTCOVI”
Last Date to Apply
🗓 October 20, 2025
