PhD Student in Computational Chemistry (f/m/d)

Location

Essen

Application area

Faculty of Chemistry, Institute for Physical Chemistry

PhD Student in Computational Chemistry (f/m/d, Nr. 416-26)
Salary group 13 TV-L (gross 38.265-54.388€)

The Faculty of Chemistry at the UDE is one of the largest chemistry faculties in Germany and offers three study programs under one roof: Chemistry, Water Science and Chemistry Teachers College. The young and dynamic research group led by Prof. Dr. Erna K. Wieduwilt focuses on elucidating the structures and reactions of transition-metal enzymes with computer simulations, thereby bridging the fields of computational chemistry and quantum crystallography.

Start of employment

2026-12-01

Duration of employment

36 months

Working time

26 h 41 min. (67% of a full-time employment (part-time employment is possible)

Your main tasks

You will conduct research within the project “Boosting Enzymatic Plastic Recycling via Future Computing” as part of the NRW Return Programme of Prof. Dr. Erna K. Wieduwilt. The main focus of your position will be on evaluating quantum mechanics/molecular mechanics (QM/MM) calculations on metalloenzymes and exploring whether machine learning can be used for predictions of enzymatic reactions in biomass and plastic degradation. In these areas, you will closely collaborate with postdoctoral and PhD researchers who have experience in QM/MM calculations of metalloenzymes and machine learning. Additionally, you will contribute to supervising students, teaching activities, and administrative tasks, aligned with your transferable skill development.

The position offers the opportunity for further scientific qualification.

Your profile

• By the time of appointment, you will have successfully completed your university studies in chemistry, biochemistry, cheminformatics, bioinformatics, biology, physics or a related field with a standard period of study of at least eight semesters (minimum 270 credit points or equivalent) and an average grade of at least ‘good’ (or equivalent)
• You are highly motivated to pursue research in sustainable chemistry and push the boundaries of computational biochemistry
• Ideally, you have first experience in QM calculations and their analysis. Experience with QM/MM or QM-cluster calculations on enzymes is desirable but not required; you are eager to learn these methods
• Previous experience in the use of machine learning and/or QM software packages, high-performance computing (HPC) clusters, and Linux operating systems will be considered an advantage
• You demonstrate scientific curiosity, take responsibility for your own work, and actively contribute to team-oriented, interdisciplinary, and international collaborations inside and outside the research group. Fluency in English (written and spoken) is essential

We offer you

• An interesting and responsible research position with broad opportunities for academic and personal growth, allowing you to take responsibility and establish valuable connections with academic and industrial collaborators locally as well as internationally
• A supportive and appreciative working atmosphere within a highly motivated, international and diverse research group. We look forward to welcoming and onboarding our new team member
• Fully funded participation in national and international workshops, summer schools, and conferences as well as dedicated presentation training
• Training in state-of-the-art computational methods and software (e.g., ORCA, AMBER) as well as access to significant HPC resources (e.g., the cluster AmplitUDE)
• Access to graduate courses, transferable skills training and the possibility to apply for the Water Graduate School (WGS)
• Family-friendly policies, including childcare support
• Advisory services for employees with family care responsibilities
• Possibility to enrol as a student, granting access to student housing, local public transport throughout Germany (Deutschlandsemesterticket) and discounts at university canteens, museums, etc.
• Excellent public transport connections and free parking
• Access to attractive sports and health programs (university sports)
• The possibility of remote work

Application deadline

2026-09-25

Code number

416-26

Application

Please submit your application (motivation letter, CV, diplomas, transcript of records with grades, at least two references) quoting reference 416-26 to: Prof. Dr. Erna K. Wieduwilt, Universität Duisburg-Essen, Fakultät für Chemie, Campus Essen, 45117 Essen. Please compile your application in a single PDF file and send it via email to applications.wieduwilt@uni-due.de.

Information about the job

Additional information about our research and group can be found at:

• About the project “Boosting Enzymatic Plastic Recycling via Future Computing”: https://www.uni-due.de/2025-12-08-professor-erna-wieduwilt-researches-plastic-recycling
• About the group:
• Current webpage: https://www.uni-due.de/zmb/members/erna-wieduwilt.php

Open minded

We are a young, innovative university located in the heart of the Ruhr metropolis. We pride ourselves in outstanding research and teaching, think in terms of opportunities rather than limitations and develop ideas with a view to the future. Diversity is an integral part of our culture as we promote potential and are committed to upholding genuine equity in education.

Learn more

University of Duisburg-Essen pursues the goal of promoting the diversity of its members.
www.uni-due.de/diversity/en

In accordance with the State Equal Opportunities Act, women with the same qualifications are given preferential consideration.

Applications from suitable disabled persons and persons of equal status within the meaning of § 2 para. 3 SGB IX are desired.

By applying for one of the advertised positions, you expressly agree to the requirements in accordance with the General Data Protection Regulation and to being contacted by mail. Further information on data protection can be found here.

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