The University of Luxembourg invites applications for a doctoral researcher position in AI for Science, based at the Faculty of Science, Technology and Medicine (FSTM). This interdisciplinary PhD opportunity is part of the IAS Audacity project AI4TECS, which focuses on leveraging advanced artificial intelligence techniques to enable real-time identification and treatment of emerging contaminants in water systems. The successful candidate will join a vibrant research environment, collaborating with experts in environmental chemistry, AI, and water-treatment engineering.

The AI4TECS project aims to develop the first AI-powered system integrating real-time EC identification using non-target high resolution mass spectrometry (LC-HRMS) data, toxicity prediction, and transformation modelling into an early-warning monitoring framework. The PhD researcher will pursue three core directions: developing foundation models for EC identification from complex LC-HRMS data, designing hierarchical graph-based models for toxicity prediction under uncertainty, and advancing causal inference methods to predict transformation products under varying treatment conditions.

As part of an interdisciplinary team, the candidate will work closely with another doctoral researcher in the Environmental Cheminformatics Group at LCSB. The AI4Science PhD will focus on machine-learning models informed by prioritized Non-Targeted Assessment (pNTA) results from diverse water matrices and case studies. The position is based in the Department of Computer Science, providing access to high-performance computing resources for large-scale machine-learning and foundation-model experiments.

Supervision will be provided by Prof. Dr. Jun Pang and Dr. Zhiqiang Zhong. The University of Luxembourg offers a modern, dynamic, and international research environment, with staff from over 90 countries and strong ties to industry, government, and European institutions. The yearly gross salary for every PhD at the University of Luxembourg is EUR 41976 (full time).

Applicants should hold a Master's degree in computer science or a closely related field, possess strong technical skills in AI and machine learning, and demonstrate enthusiasm for interdisciplinary research. Excellent programming skills, familiarity with deep learning frameworks, and B2-level proficiency in the thesis language are required. The university values inclusivity and encourages applications from individuals of all backgrounds.

To apply, submit your CV, cover letter, transcript of university-level courses, and names/contact details of at least two references via the online HR system. Early applications are encouraged as review begins upon receipt. Email applications will not be considered.