Assistant Professor for Computational Non-Target Screening of Contaminants of Emerging Concern

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Assistant Professor for Computational Non-Target Screening of Contaminants of Emerging Concern

The Analytical Chemistry Group invites applications for a 4-year assistant professorship in machine learning–based non-target screening of contaminants, CECs and other complex chemical mixtures. The position is within analytical chemistry with a focus on machine learning–based non-target screening of contaminants of emerging concern (CECs) and related chemical fingerprints in complex environmental and biological matrices. The research combines high-resolution mass spectrometry, complementary chromatographic separations (LC, online-SPE-LC, SFC and GC×GC), and analytical data science to develop scalable workflows for targeted, suspect and non-target screening. The aim is to transform large HRMS datasets from drinking water, wastewater, sludge, advanced treatment systems and human urine into chemical annotations, exposure signatures and understanding of contaminant fate, removal and human exposure. The position will contribute to two closely connected research directions: identification of micropollutants, including highly polar, persistent, mobile and fluorinated compounds, in wastewater, sludge and advanced treatment systems to support machine-learning models for contaminant fate and removal; and large-scale profiling of the human urinary exposome to identify chemical exposure signatures associated with disease. The research is based on complementary chromatography‑HRMS workflows, including LC, online‑SPE‑LC, SFC and GC×GC coupled to Orbitrap, QqTOF and TOF platforms. A central task is to develop reproducible and scalable data workflows that integrate automatic preprocessing, cheminformatics, chemical databases and machine learning for compound identification, annotation, prioritization, confidence annotation, and quantitative or semi‑quantitative interpretation. The position has a strong analytical data science profile. We are particularly interested in candidates who can develop and critically validate open, transparent and reusable workflows for large HRMS datasets, including programming‑based data processing, AI‑assisted code development, workflow benchmarking, molecular pattern recognition, and integration of experimental analytical chemistry with predictive modelling. We seek ambitious candidates with a strong profile in analytical chemistry, separation science, HRMS and/or analytical data science, and with motivation to work in close collaboration with academic, clinical, regulatory and industrial partners.

Who are we looking for?

Ideal Applicants Should Have

• A PhD in analytical chemistry, environmental chemistry, bioanalytical chemistry, metabolomics, exposomics, chemometrics, computational chemistry, analytical data science or a closely related discipline
• Documented experience with HRMS-based targeted, suspect and/or non-target screening workflows for complex environmental or biological samples
• Experience with large-scale analytical datasets, including feature detection, alignment, blank filtering, annotation, prioritization, benchmarking and quality control
• Experience with cheminformatics, including the use of chemical databases, spectral libraries, molecular fingerprints, in‑silico prediction tools and computational approaches for compound annotation.
• Programming skills, for example in Python, R or MATLAB, for processing and interpretation of chromatography and mass spectral data. Experience with reproducible code, AI‑assisted coding, prompt engineering, code validation and debugging is an advantage
• Experience with complementary chromatographic approaches such as LC, online‑SPE‑LC, SFC, GC or multidimensional chromatography is an advantage
• Experience with CEC analysis, highly polar or mobile contaminants, PFAS or organofluorine screening, wastewater, sludge, urine, exposomics and/or machine learning‑based modelling is highly advantageous
• Documented experience with scientific writing, including peer‑reviewed publications and grant or fellowship applications
• Proven ability to lead research activities independently, contribute strategically to interdisciplinary projects and collaborate constructively within a research group

The assistant professor’s duties are research and teaching, including obligations with regard to publication/scientific communication, within Computational Non‑Target Screening of Contaminants of Emerging Concern. To a limited extent this may also include performance of other duties.

Assessment of applicants

will primarily consider their level of docum