Postdoctoral Researcher in Computational Chemistry of Molecular Solar Thermal Storage Systems

The Helmholtz Information & Data Science Academy (HiDA) at HIPOLE Jena seeks a Postdoctoral Researcher in Computational Chemistry to advance molecular solar thermal storage (MOST) systems. The role involves quantum chemical screening, design optimization, and collaboration with experimental and theoretical partners across Germany. Using DFT, semi-empirical methods, wavefunction-based methods, and machine learning, the postdoc will investigate 2-thiophenylazobenzene derivatives and intermolecular interactions to improve MOST system properties. The position includes publishing results, supervising students, and contributing to climate-neutral energy technology development. Applicants should hold a PhD (or near completion) in Theoretical Chemistry, Quantum Chemistry, or Materials Modeling, with strong Linux/HPC and machine learning experience.