PhD student (m/f/d) in Theoretical Chemistry of Polymers in Energy Applications at HIPOLE Jena

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Work group: HIPOLE: Helmholtz-Institute for Polymers in Energy Applications Jena (HI-POLE) Area of research: PHD Thesis Job description: Reference No. HI 2026/9 The Helmholtz Institute HIPOLE: Helmholtz-Institute for Polymers in Energy Applications Jena (HI-POLE) is looking for PhD student (m/f/d) in Theoretical Chemistry of Polymers in Energy Applications at HIPOLE Jena Your Tasks Theoretical investigation of chemical processes in self-healing polymers, e.g., conjugated polymers Elucidation of self-healing mechanisms and calculation of relevant parameters Development of an efficient screening method for evaluating and optimizing self-healing materials for battery applications Derivation of structure-property relationships and comparison of theoretical results with experimental data Methods: quantum chemical methods, in particular density functional theory, semi-empirical methods, as well as wavefunction-based methods, molecular dynamics, and machine learning will be employed Results are to be documented, evaluated, and subsequently published Close collaboration with the experimental research groups at HIPOLE Jena Supervision of bachelor’s and master’s students Summary, presentation, and publication of the results in English Your Profile Successful completion of a university degree in chemistry, materials science, or a comparable field of study Very good knowledge of theoretical chemistry/quantum chemistry and/or materials modelling Experience with Linux systems and high-performance computing systems Experience in the field of machine learning is desirable Very good written and spoken English skills 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. Further Information Anne Kürschner +493641948589 Closing Date: 27.08.2026 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.