Research Associate in Theoretical Chemistry / Computational Materials Modelling

Friedrich-Schiller-Universität Jena

07743 Jena

Bewerbungsfrist: 2026-07-26

Overview

The Friedrich Schiller University Jena is a dynamic and innovation-driven university centrally located in Germany.
The position is at the Institute of Technical Chemistry and Environmental Chemistry in the working group of Prof. Doreen Mollenhauer.
The project is a DFG-funded project titled “Proton Conductivity in Solid Electrolytes for Advanced Low-Temperature Electrochemical Ammonia Synthesis” and is part of the Priority Programme SPP 2370 “Nitroconversion”.
The role focuses on the theoretical modelling component of the project and is offered on a part-time basis for three years.

Conducting quantum-chemical calculations related to ammonia synthesis and solid proton conductors
Characterization and analysis of geometric and electronic structures
Mechanistic studies of the electrochemical ammonia synthesis
Elucidation of the structure of the solid proton conductor and description of proton transport
Interface studies: catalyst–membrane interactions
Documentation, evaluation, and subsequent publication of the results
Creative work on an academic qualification project with the aim of obtaining a doctoral degree

Successfully completed university degree, preferably at Master’s level or equivalent, in chemistry, physics, or materials science
Extensive knowledge in the field of theoretical chemistry / quantum chemistry or materials modelling
Experience in solid-state and surface modelling as well as in working with Linux systems and high-performance computing facilities is ideally available
Experience in ab initio molecular dynamics simulations and machine learning is desirable
Very good command of English, willingness to engage in international collaboration, excellent communication skills, and an interest in interdisciplinary research questions

Varied fields of activity and independent work at one of Thuringia’s largest employers
Integration into a dynamic and collegial research environment
Remuneration in accordance with TV-L up to salary group E13
Participation in diverse theoretical research with an interdisciplinary character
The opportunity to help shape forward-looking developments at a modern university with a rich tradition
A comprehensive further and continuing education programme as well as individual qualification and development opportunities
A Graduate Academy for doctoral candidates and postdocs; University health promotion and a wide range of university sports activities
30 days of vacation per calendar year plus two days off on December 24 and 31
This is a part-time position at 67% of full-time employment (26.8 hours per week), fixed-term for three years.

Are you eager to work for us? Then apply by 26.07.2026 using our online form.
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