Postdoc (m/f/d) Computational Chemist MOST at HIPOLE Jena

Work group:HIPOLE: Helmholtz-Institute for Polymers in Energy Applications Jena (HI-POLE)

Area of research:Scientific / postdoctoral posts

Job description:Reference No. HI 2026/1

The Helmholtz Institute HIPOLE: Helmholtz-Institute for Polymers in Energy Applications Jena (HI-POLE) is looking for

Postdoc (m/f/d) Computational Chemist MOST at HIPOLE Jena

Your Tasks

• Screening of molecular solar thermal storage (MOST) systems, such as 2-thiophenylazobenzene derivatives, using quantum chemical methods and machine learning tools
• Development of design concepts for optimizing MOST systems
• Investigation of the influence of intermolecular interactions on the properties of MOST systems
• Methods: Density Functional Theory (DFT), semi-empirical methods, wavefunction-based methods, and machine learning are applied
• The results should be documented, evaluated, and then published.
• Close collaboration with experimental and theoretical research groups in Gießen, Erlangen, Tübingen, Frankfurt, and Heidelberg
• Supervision of Bachelor's/Master's students and doctoral candidates
• Summary, presentation and publication of the results in English

Your Profile

• Completed academic degree in Chemistry or Materials Science
• PhD (or near completion) in Theoretical Chemistry / Quantum Chemistry or Materials Modeling
• Extensive knowledge in the fields of Theoretical Chemistry / Quantum Chemistry and Materials Modeling
• Experience with Linux systems and high-performance computing
• Experience in machine learning is desirable
• Very good written and spoken English skills
• Very good publication record
• Experience in presenting scientific content in English

You demonstrate a high level of commitment, initiative, problem-solving skills, and a willingness to familiarize yourself with diverse areas of responsibility.You are characterized by your teamwork skills, reliability, independence, and communication abilities (including proficiency in English).

You enjoy working in an interdisciplinary, international team within a diverse and dynamic work environment.

The employment contract is limited until 31.12.2027. The position will be filled promptly.

Further Information

Anne Kürschner

+493641948589

Closing Date: 30.11.2026

This research center is part of the Helmholtz Association of German Research Centers. With more than 42,000 employees and an annual budget of over € 5 billion, the Helmholtz Association is Germany's largest scientific organisation.