Research Associate (PhD Candidate) in Computational and Theoretical Chemistry | Akademische*r Mitarbeiter*in (w/m/d)

Job Summary

This PhD research position focuses on the intersection of theoretical chemistry, machine learning, and materials science within the Interdisciplinary Center for Scientific Computing at Heidelberg University. The successful candidate will engage in cutting-edge research, including multiscale simulations of stimuli-responsive functional materials, atomistic investigations of porous materials (MOF, COFs), and the study of molecular switches and machines. A core component of the role involves developing and applying advanced computational methods, such as evolutionary algorithms, neural networks, and machine learning techniques, for modeling, evaluation, and visualization of dynamic phenomena. The role requires a strong background in chemistry or physics, experience in computational methods, and excellent English communication skills, offering an innovative, interdisciplinary, and internationally focused research environment.