PhD Position in Computer-Aided Modeling and Simulation of Adsorption Processes, University of Duisburg-Essen, Germany

Summary

The Department of Thermal Process Engineering within the Faculty of Engineering Sciences at the University of Duisburg-Essen is offering a 3-year PhD position starting February 1, 2027. The successful candidate will contribute to a research project focused on the computer-aided modeling and simulation of adsorption processes using density functional theory (DFT) and Monte Carlo simulations. Responsibilities include developing computational models, analyzing adsorption at the molecular level, publishing research results, and participating in teaching and administrative duties. Applicants must hold an above-average university degree (minimum 8 semesters) in physics, chemistry, chemical engineering, process engineering, or a related field. Remuneration is based on the TV-L 13 pay scale.

Key Facts

Employer	University of Duisburg-Essen
Department	Fakultät für Ingenieurwissenschaften, Institut für Thermische Verfahrenstechnik
Position Type	PhD Position
Discipline	Thermal Process Engineering / Physics / Chemistry / Chemical Engineering
Research Area	Computer-Aided Modeling and Simulation of Adsorption Processes
Degree Required	Master's degree or equivalent university degree with at least 8 semesters of standard study time in physics, chemistry, chemical engineering, process engineering, or a related natural or engineering science subject
Salary	TV-L 13 (gross €59,324 – €84,319 per year)
Funding	Pay according to TV-L collective agreement
Contract Duration	3 years
Language	Good spoken and written English skills
Deadline	2026-11-25
Required Documents	Cover letter, Curriculum vitae, Attachments
Employer Address	Forsthausweg 2 (Duisburg campus); Universitätsstraße 2 (Essen campus), 47057 (Duisburg); 45141 (Essen), North Rhine-Westphalia
Employer Contact	Dr. Christian Bläker, Telefon 0203 3791736, E-Mail [email protected]

About the Project

The research project focuses on the computer-aided modeling and simulation of adsorption processes. It aims to develop, implement, and optimize molecular simulation methods based on density functional theory (DFT) and Monte Carlo simulations to investigate adsorption mechanisms at the molecular level. Experimental adsorption data, such as isotherms and adsorption enthalpies, serve as the foundation to analyze the relationships between material structure, molecular interactions, and macroscopic adsorption behavior in porous materials.

Key Responsibilities

• Develop, implement, and optimize computer-based models and simulation methods to describe adsorption mechanisms using DFT and Monte Carlo simulations.
• Analyze and interpret adsorption processes at the molecular level and examine connections between material structure, molecular interactions, and macroscopic adsorption behavior.
• Present research findings in scientific publications and at national and international conference meetings.
• Contribute to academic teaching and assist in designing and conducting courses.
• Support selected administrative and organizational tasks for the chair.

Required Skills

• Above-average university degree in physics, chemistry, chemical engineering, process engineering, or a related field (minimum 8 semesters standard duration).
• Programming skills and initial experience in computer-aided simulation.
• Knowledge in implementing scientific algorithms and using simulation software is advantageous.
• Interest in molecular simulation methods, specifically DFT and Monte Carlo simulations.
• Good written and spoken English skills.

Who Should Apply

Graduates with an above-average university degree (at least 8 semesters) in physics, chemistry, chemical engineering, process engineering, or a related natural science or engineering discipline should apply. Candidates should ideally possess programming skills, initial experience in computer-aided simulation, good English proficiency, and an interest in molecular simulation methods like DFT and Monte Carlo simulations.

Benefits

• Secure public sector workplace with reliable framework conditions in a research-intensive environment.
• Opportunity to pursue a PhD with structured support offerings.
• Diverse continuing education and training opportunities.
• Corporate benefits providing attractive discounts.
• Family-friendly university culture including childcare options and advisory services for family care.
• 30 days of vacation per year (for a 5-day week) plus free days on Christmas Eve and New Year's Eve.
• Fair pay under the TV-L agreement, including an annual special payment and occupational pension scheme.
• Extensive sports and health programs.

About the Employer

The University of Duisburg-Essen is a young, innovative university located in the Ruhr metropolis that excels in research and teaching, fosters diversity, and actively supports educational equity.

Frequently Asked Questions

What is the application deadline for this position?

The application deadline is November 25, 2026.

What is the expected start date?

The position is scheduled to start on February 1, 2027.

What is the duration of the employment contract?

The contract duration is 3 years.

What level of degree is required to apply?

Applicants must hold an above-average completed university degree in physics, chemistry, chemical engineering, process engineering, or a related field with at least 8 semesters of standard study time.

How can applicants submit their application?

Applications should be submitted online with standard documents citing reference number 529-26 to Dr. Christian Bläker at [email protected].