PhD in Cheminformatics and ML for Sustainable Chemistry

Syddansk Universitet; Cortex Park; On-site; DKK 379,000 - 454,000; Full time

Job summary

University of Southern Denmark invites applications for a PhD position in cheminformatics and machine learning within SDU Life Cycle Engineering at the Department of Green Technology. The role contributes to PFAROS, integrating chemistry, AI, and data science to advance safe chemical and material innovations.

The successful candidate will work on data curation, model development, and collaboration with international partners, with a January 2026 start favored.

Qualifications

• MSc degree (or equivalent) in chemistry, environmental science, chemical engineering, computer science, data science, bioinformatics, or related field.
• Strong interest in machine learning, cheminformatics, data science, and chemical risk assessment.
• Experience with programming in Python and scientific computing.
• Familiarity with machine learning methods, data management, and statistical analysis.
• Experience with chemical databases, molecular descriptors, QSAR models, or cheminformatics tools is an advantage.
• Excellent written and oral communication skills in English.
• Ability to work independently as well as collaboratively in an international research environment.

Responsibilities

• Collect, curate, and validate high-quality data for chemicals in commerce.
• Evaluate applicability domains and coverage of existing ML models for predicting chemical properties.
• Develop, train, validate, and benchmark new models for chemical property prediction.
• Contribute to integration of experimental data, computational methods, and ML workflows.
• Participate in collaborative research within the PFAROS consortium and interact with international partners.
• Contribute to publications, conferences, reports, and development of new proposals.

Skills

Machine learning

Cheminformatics

Python

Data science

Environmental science

English communication

Independent work

Education

MSc degree

Tools

Cheminformatics tools

Molecular descriptors

QSAR models

Job description

University of Southern Denmark invites applications for a PhD position in cheminformatics and machine learning within SDU Life Cycle Engineering at the Department of Green Technology. The role contributes to PFAROS, integrating chemistry, AI, and data science to advance safe chemical and material innovations.

The successful candidate will work on data curation, model development, and collaboration with international partners, with a January 2026 start favored.