Computational Chemist MOST PostDoc HIPOLE Jena (m/f/d)

Organisation/Company: Helmholtz-Zentrum Berlin für Materialien und Energie

Research Field

Physics

Researcher Profile

Recognised Researcher (R2), Established Researcher (R3)

Country

Germany

Application Deadline

16 Jun 2025 - 21:00 (UTC)

Type of Contract

To be defined

Job Status

Other

Funding

Not funded by a EU programme

Research Infrastructure

No

Offer Description

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

Area of research: Scientific / postdoctoral posts

Reference No. HI 2025/3

The Helmholtz Institute HIPOLE: Helmholtz-Institute for Polymers in Energy Applications Jena (HI-POLE) is looking for a researcher to contribute to the following 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.
• Applying methods such as Density Functional Theory (DFT), semi-empirical, wavefunction-based methods, and machine learning.
• Documenting, analyzing, and publishing results.
• Collaborating with experimental and theoretical research groups in Gießen, Erlangen, Tübingen, Frankfurt, and Heidelberg.
• Supervising Bachelor's/Master's students and doctoral candidates.
• Presenting and publishing 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 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.
• 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 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.

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 organization.