We are an interdisciplinary 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.

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 descriptors and methods that simplify the analysis of electronic structure in atoms, molecules, polymers and crystals. We also apply quantum mechanics 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 occurring over long time scales.

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


The group in March 2019: Stefano Racioppi, Francesco Sessa, Martin Rahm, Max Delvret, Henrik Skoglund, Cecilia Bustrén, Pontus Havström, Lova Wilske and Hilda Sandström