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

Helmholtz-Zentrum Berlin für Materialien und Energie; Deutschland; Vor Ort; EUR 25.000 - 35.000; Vollzeit

Zusammenfassung

A leading German research institution is seeking a PhD Student to work on modeling and simulation of CO2 capture. The ideal candidate should have a strong background in quantum chemistry, materials modeling, and be familiar with Linux and HPC systems. This role involves close collaboration with experimental research teams to drive innovative solutions in energy applications. Enthusiastic team players will thrive in this dynamic research environment.

Qualifikationen

• University degree in a relevant field required.
• Excellent knowledge of theoretical and quantum chemistry.
• Experience with Linux and HPC environments is essential.
• Experience in machine learning is desirable.

Aufgaben

• Screen monomers for redox chemistry and CO2 capture.
• Identify structure-property relationships and develop design concepts.
• Model small polymer chains.
• Conduct electrochemical CO2 conversion.
• Apply computational methods and summarize results.
• Collaborate with experimental research teams.

Kenntnisse

Quantum chemistry

Materials modeling

Linux systems

High-performance computing

Machine learning

English proficiency

Ausbildung

University degree in chemistry, materials science, or related field

Jobbeschreibung

Organisation/Company Helmholtz-Zentrum Berlin für Materialien und Energie Research Field Physics Researcher Profile First Stage Researcher (R1) Country Germany Application Deadline 30 Nov 2025 - 22:00 (UTC) Type of Contract To be defined Job Status Other Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? No

Offer Description

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

Area of research:

PHD Thesis

Reference No. HI 2025/8

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

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

Your Tasks

• Screening of monomers from various polyanthraquinone types with respect to their redox chemistry and CO? capture using quantum chemical methods and machine learning tools
• Identification of structure?property relationships and development of design concepts
• Modeling of small polymer chains
• Electrochemical CO? conversion
• 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.

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 organisation.