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Erna K. Wieduwilt

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PhD Student in Computational Chemistry and Enzymatic Plastic Recycling University of Duisburg-Essen in Germany

Degree Level

PhD

Field of study

Computer Science

Funding

Salary group 13 TV-L (gross 38,265-54,388€). The position is fully funded, lasts 36 months, and includes funded participation in workshops, summer schools, and conferences.

Deadline

Sep 25, 2026

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Country

Germany

University

Universität Duisburg-Essen

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Keywords

Computer Science
Chemistry
Biology
Computational Chemistry
Molecular Dynamics
Sustainable Chemistry
Metalloenzyme
ML

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About this position

PhD opening in Computational Chemistry at the Faculty of Chemistry, Institute for Physical Chemistry, University of Duisburg-Essen (Essen, Germany). The position is in the research group of Prof. Dr. Erna K. Wieduwilt and focuses on QM/MM calculations, metalloenzymes, machine learning, and the computational study of enzymatic reactions relevant to biomass and plastic degradation.

The project is titled “Boosting Enzymatic Plastic Recycling via Future Computing” and is part of the NRW Return Programme. The successful candidate will work on evaluating quantum mechanics/molecular mechanics calculations on metalloenzymes and exploring whether machine learning can support predictions of enzymatic reactions in sustainable chemistry and computational biochemistry.

Eligibility highlights: applicants should have completed a university degree in chemistry, biochemistry, cheminformatics, bioinformatics, biology, physics, or a related field with at least eight semesters / 270 ECTS (or equivalent) and a grade of at least good. Prior experience with QM calculations is helpful; QM/MM or QM-cluster experience is desirable but not mandatory. Experience with machine learning, QM software, HPC clusters, and Linux is an advantage. Strong English skills are required.

Funding and conditions: the role is paid at Salary group 13 TV-L (gross 38,265–54,388€), runs for 36 months, and is described as a fully funded research position. The group also offers training, access to HPC resources, graduate courses, transferable skills training, and funded participation in workshops, summer schools, and conferences.

Application deadline: 2026-09-25. Apply by sending a single PDF with motivation letter, CV, diplomas, transcript of records, and at least two references to [email protected], quoting reference 416-26.

Funding details

Salary group 13 TV-L (gross 38,265-54,388€). The position is fully funded, lasts 36 months, and includes funded participation in workshops, summer schools, and conferences.

What's required

Completed university studies in chemistry, biochemistry, cheminformatics, bioinformatics, biology, physics or a related field with at least eight semesters (minimum 270 credit points or equivalent) and an average grade of at least good or equivalent. Motivation to pursue research in sustainable chemistry and computational biochemistry is required. First experience in QM calculations and analysis is ideal; QM/MM or QM-cluster experience on enzymes is desirable but not required. Experience with machine learning, QM software packages, HPC clusters, and Linux is an advantage. Fluency in English (written and spoken) is essential.

How to apply

Prepare a single PDF containing motivation letter, CV, diplomas, transcript of records with grades, and at least two references. Email it to [email protected] and quote reference 416-26.

More information can be found here

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