PhD Student (f/m/d) in modeling and simulation of CO- capture at HIPOLE Jena

Helmholtz-Zentrum Berlin für Materialien und Energie GmbH (HZB); Berlin; Vor Ort; EUR 40.000 - 60.000; Vollzeit

Zusammenfassung

A leading research institute in Germany seeks a PhD student to model and simulate CO₂ capture. This role offers the chance to develop sustainable energy technologies and collaborate with top researchers. Successful candidates will have a degree in chemistry or materials science and knowledge of theoretical chemistry. The position is based in Jena, with a fixed-term contract for 36 months and competitive benefits.

Leistungen

30 days paid leave

Health management

Company pension scheme

Flexible working time models

Career-enhancing networking opportunities

Qualifikationen

• Successful completion of a university degree in chemistry, materials science, or a related field of study.
• Excellent knowledge of theoretical chemistry/quantum chemistry and/or materials modeling.
• Experience in Linux systems and HPC environments.

Aufgaben

• Modeling of electrochemical exchange adsorption of CO₂ on polymer-carbon hybrid materials.
• Screening of monomers for redox chemistry and CO₂ capture.
• Conducting quantum chemical methods and machine learning.

Kenntnisse

Theoretical chemistry/quantum chemistry

Materials modeling

Linux systems

High-performance computing (HPC)

Machine learning

Excellent command of English

Ausbildung

Degree in chemistry, materials science, or related field

Jobbeschreibung

PhD Student (f/m/d) in modeling and simulation of CO₂ capture at HIPOLE Jena

Reference no.: HI 2025/8

Achieving climate-neutrality within the next 20 years necessitates an innovation boost for the development of highly efficient, scalable, low-cost, and sustainably produced energy technologies. Polymer materials play a central role in this process. HIPOLE Jena integrates and expands world-class expertise in polymer chemistry, materials science, high-throughput experiments, and artificial intelligence with complementary expertise in inorganic/hybrid materials, scalable components, and advanced characterization.

We are looking for a PhD student (f/m/d) for our location in Jena, starting January 1, 2026. You will have the opportunity to support our young institute with your ideas and expertise right from the start and will work with researchers from all over the world to contribute to the development of a climate-friendly future. The position is assigned to the PolyCapture project and is within the department of Prof. Dr. Doreen Mollenhauer, with the following thematic focus:

• Computer-aided modeling of the electrochemical exchange adsorption of carbon dioxide on polymer-carbon hybrid materials
• Screening of monomers from various polyanthraquinone types with respect to their redox chemistry and CO₂ capture using quantum chemical methods and machine learning tools
• Identification of structure–property relationships and development of design concepts
• Modeling of small polymer chains
• Application of computational methods, including density functional theory, semi-empirical methods, wavefunction-based methods, and machine learning
• Summary, presentation, and publication of results
• Close collaboration with experimental research groups at HIPOLE Jena

Your Profile

• Successful completion of a university degree in chemistry, materials science, or a related field of study
• Excellent knowledge of theoretical chemistry/quantum chemistry and/or materials modeling
• Experience with Linux systems and high-performance computing (HPC) environments
• Experience in the field of machine learning is desirable
• Excellent command of English, both written and spoken

You demonstrate a high level of motivation, initiative, problem-solving skills, and a willingness to familiarize yourself with a wide range of tasks. You are characterized by your teamwork skills, reliability, independence, and communication abilities.

• International/diversity-sensitive working environment at a Helmholtz Institute in the science city of Jena
• Opportunity to contribute to the development of novel materials and technological solutions for a climate-neutral future together with top international researchers
• Career-enhancing networking opportunities and individual support and assistance programmes
• Good work-life balance through counselling services on family and career and flexible working time models: flextime, part-time, hybrid working
• 30 days paid leave
• Health management, company pension scheme (VBL), subsidy for the Deutschlandticket/Jobticket
• Payment in accordance with the collective agreement for the public sector (TVöD-Bund)

Fixed term contract for 36 months. The salary is based on the Collective Agreement for the German Public Service (TVöD-Bund).

How to apply

We look forward to receiving your application via our application management system by 30.11.2025. For reasons of data protection regulations, we are unfortunately unable to consider applications that reach us by other means (such as email or mail) in the application process.

We very much want our workplace to be diverse, and welcome applications from people with different backgrounds. It is our mission to promote equal opportunities and to improve women’s representation in the workforce. We are therefore very interested in receiving applications from women. Where the qualifications are met, we will give preference to people with disabilities.

At the newly founded Helmholtz Institute for Polymers in Energy Applications Jena (HIPOLE) in Jena, HZB and Friedrich Schiller University Jena (FSU Jena)/Center for Energy and Environmental Chemistry Jena (CEEC Jena) join forces in the field of energy storage and conversion. Join us and help us achieve our goal! Find out more on our website or the website of the HZB.

Climate change poses serious challenges to the whole world. At Helmholtz-Zentrum Berlin (HZB), we are researching materials for a climate-neutral future. 1,400 employees from all over the world work together to achieve this goal at the site in Berlin.

CONTACT

Anne Kürschner