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Helmholtz-Zentrum Berlin für Materialien und Energie

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Postdoctoral Computational Chemistry Position in Molecular Solar Thermal Storage and Materials Modeling Helmholtz-Zentrum Berlin für Materialien und Energie in Germany

Degree Level

Postdoc

Field of study

Chemistry

Funding

The position is paid according to the Collective Agreement for the German Public Service (TVöD-Bund). Benefits include 30 days of paid leave, company pension scheme, health management, Deutschlandticket/Jobticket subsidy, flexible working models, and career-development support. The employment contract is limited until 31 December 2027.

Deadline

Nov 30, 2026

Country flag

Country

Germany

University

Helmholtz-Zentrum Berlin für Materialien und Energie

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Keywords

Chemistry
Materials Science
Energy Storage
Quantum Chemistry
Computational Chemistry
Energy Conversion
ML

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About this position

HIPOLE Jena, the Helmholtz Institute for Polymers in Energy Applications Jena, is seeking a postdoctoral Computational Chemist to advance molecular solar thermal storage (MOST) systems. The position is based in Jena within Helmholtz-Zentrum Berlin für Materialien und Energie and is conducted on the campus and in cooperation with the Friedrich Schiller University Jena’s Center for Energy and Environmental Chemistry Jena.

The research addresses the development of highly efficient, scalable, low-cost, and sustainably produced energy technologies. The postdoctoral researcher will investigate MOST materials, including 2-thiophenylazobenzene derivatives, with the aim of designing improved systems for solar energy storage and conversion.

The project combines quantum chemistry, materials modeling, and machine learning. The researcher will screen candidate MOST systems using Density Functional Theory, semi-empirical methods, wavefunction-based methods, and machine-learning tools. The work will also examine how intermolecular interactions influence the properties of these molecular energy-storage systems and will support the development of design concepts for optimization.

Research results will be evaluated, documented, presented, and published in English. The role includes close collaboration with experimental and theoretical research groups in Gießen, Erlangen, Tübingen, Frankfurt, and Heidelberg, providing an interdisciplinary research environment connected to leading work in polymer materials, sustainable batteries, energy storage, and energy conversion.

The postdoctoral researcher will also supervise Bachelor’s and Master’s students and doctoral candidates. HIPOLE Jena offers an international and diversity-sensitive environment in the science city of Jena, with opportunities to work with international researchers on novel materials and technological solutions for a climate-neutral future.

Funding details

The position is paid according to the Collective Agreement for the German Public Service (TVöD-Bund). Benefits include 30 days of paid leave, company pension scheme, health management, Deutschlandticket/Jobticket subsidy, flexible working models, and career-development support. The employment contract is limited until 31 December 2027.

What's required

Applicants must have a completed academic degree in Chemistry or Materials Science and a PhD, or be near completion of a PhD, in Theoretical Chemistry, Quantum Chemistry, or Materials Modeling. Extensive knowledge of theoretical chemistry, quantum chemistry, and materials modeling is required, along with experience using Linux systems and high-performance computing. Experience in machine learning is desirable. Applicants should have very good written and spoken English skills, a very good publication record, and experience presenting scientific content in English. Commitment, initiative, problem-solving ability, teamwork, reliability, independence, communication skills, and willingness to work in diverse interdisciplinary areas are expected.

How to apply

Apply through the HIPOLE Jena application management system using the direct application link. Applications submitted by email or mail cannot be considered due to data protection regulations. The position will be filled promptly.

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