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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The many forms of entropy

In 2015 we co-authored two experimental papers, which dealt in one form or another with entropy effects albeit for very different systems. The first paper de...

Welcome Mattias!

On October, 1st Mattias Ångqvist officially started his Ph.D. studies in our group after he had already been around as a project worker for the last twelve m...

Why messy sheets are poor conductors

Films of layered substances such as WSe2 and other transition metal dichalcogenides can exhibit a reduction in the out-of-plane thermal conductivity of more ...

Congratulations Leili!

On June, 9th 2015 Leili successfully defended her licentiate thesis titled Defect properties in dilute tungsten alloys from först-principles calculations. Le...

The unexpected benefits of impurities

State-of-the-art scintillators such as LaBr3 and SrI2 offer much better energy resolution than “classical” materials such as NaI and CsI. Further improvement...