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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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...