This is the home of the Computational Materials Research group, a subunit of the Materials and Surface Theory division at the Department of Physics at Chalmers University of Technology in Gothenburg (Sweden). We study ma­ter­ials for energy conversion and storage using electronic and atomic scale modeling, with the goal of improving existing and finding new materials.


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New data repository

Our publications section now features a “Data repository”, where you can find supplementary data and information concerning our papers. This includes for ex...

Understanding plasmonic excitations

Together with researchers at Aalto University we just published a paper describing an powerful tool for analyzing plasmonic excitations in nanostructures. Th...

Ordering in inorganic clathrates

Many properties of inorganic clathrates such as Ba8Ga16-xGe30+x are sensitive to the distribution of the constituting species over the available lattice site...

Congratulations Leili!

On June, 7th 2017 Leili successfully defended her doctoral thesis titled First principles study of tungsten-based alloys: From defect thermodynamics to phase...