PhD researcher (m/f/x) for computational chemistry (electronic and molecular structure theory)

PhD researcher (m/f/x) for computational chemistry (electronic and molecular structure theory)

The Quantum Chemistry Group at the Faculty of Chemistry and Biochemistry, Chair of Theoretical Chemistry, Quantum Chemistry, at Ruhr University Bochum seeks a fixed‑term, part‑time PhD researcher. The position is hours per week (67 %) and will commence no later than 01 October 2026. The appointment lasts three years, with the application deadline 31 July 2026. Salary is based on the collective agreement TV‑L, pay grade E13.

Responsibilities

• Extend high‑level coupled‑cluster methods for the calculation of emission spectra in solution.
• Develop efficient workflows that combine different levels of electronic‑structure theory and methods for the simulation of spectra.
• Carry out detailed benchmark studies to validate the efficiency and accuracy of the developed approaches.
• Apply existing and newly developed methods to organic dyes to analyze experimental spectra and optical properties in solution.
• Present results in publications and national and international conferences.
• Involve in national and international collaboration.

Qualifications

• Master of Science (MSc) in chemistry, physics, or a related field.
• Good knowledge of electronic‑structure theory and computational chemistry.
• Experience with programming languages (Python, Fortran).
• Knowledge of fundamental electronic spectroscopies is an advantage.
• High motivation and drive to advance scientific research in electronic‑structure theory and theoretical spectroscopy.
• Structured and independent work approach with good communication and organisational skills.
• Strong commitment, flexibility, teamwork and problem‑solving competence.
• Good command of English (written and spoken).

Benefits

• Participation as an active member of the development team of one of the leading quantum‑chemistry software packages (TURBOMOLE).
• Networking opportunities at national and international conferences and collaboration partners.

EEO Statement

The Ruhr‑Universität Bochum stands for diversity and equal opportunities. We favour a heterogeneous working environment and encourage career advancement for under‑represented groups. Applications from women and persons with disabilities are especially welcome.

Contact

Prof. Dr. Christof Haettig – – Tel.: +49 234 32 28082