Our purpose is to facilitate a better understanding of chemistry in challenging situations and to pursue realistic computational search and design of functional materials. To this end, our research includes development of chemical concepts that simplify the analysis of electronic structure in atoms, molecules, polymers, and crystals. We also develop quantum mechanical methods to study materials and processes not readily accessible experimentally. For example, we predict materials of very high energy density, explore chemistry under high pressures conditions, and study prebiotic, astrochemical, and astrobiological processes that may proceed over long time scales. The research team is affiliated with the Wallenberg Centre for Quantum Technology (WACQT), and is additionally developing algorithms for quantum computation of chemistry on Chalmers-build quantum processors.

More details on who we are and our research can be found in the links above. If you have any questions, please contact us at martin.rahm[at]chalmers.se