PhD Researcher in Computational Chemistry | PhD researcher (m/f/x) for computational chemistry (electronic and molecular structure theory)

Job Summary

This PhD researcher position within the Quantum Chemistry Group focuses on advancing electronic structure methods for electronically excited states. The successful candidate will work on developing coupled-cluster response theory and robust workflows to simulate emission and phosphorescence spectra of organic chromophores, specifically for OLED and TADF materials. Day-to-day responsibilities include extending high-level coupled-cluster methods, creating efficient simulation workflows, conducting benchmark studies, and applying these methods to analyze organic dyes. You will also communicate findings through publications and participation in international conferences. This role is part of the prestigious RESOLV Cluster of Excellence, offering a highly interdisciplinary and collaborative research environment. The position is ideal for a motivated scientist with a background in chemistry or physics who is passionate about both theoretical method development and software implementation. You will contribute directly to the globally recognized TURBOMOLE software package while addressing complex challenges in modern spectroscopy and chemical catalysis.