We are a theoretical chemistry group working on challenges in the borderlands between chemistry, physics, materials science, and planetary science. As part of the Division of Chemistry and Biochemistry we are located on the main campus of Chalmers University of Technology in Gothenburg, Sweden.
We believe the road to a sustainable tomorrow is intimately connected to cross-disciplinary mastery of chemical bonding. There is a significant need for analysis and rationalization of electronic structure in a manner that is inherently understandable and useful for experimental researchers and theorist alike. Our purpose is to facilitate chemical rationales under different conditions and 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 processes that proceed over long time scales. The research team is affiliated with the Wallenberg Centre for Quantum Technology (WACQT), and is also 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