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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atomicrex released!

We just released the first public version of atomicrex, a versatile tool for the construction of advanced atomistic models that was developed together with A...


Welcome Magnus and Christopher!

As of August 2016, we have two new Ph.D. students in the group. Both Christopher Linderälv and Magnus Rahm have previously carried out their Master thesis wo...

Getting the most out of MOST

Together with the group of Kasper Moth-Poulsen at Chemistry, we recently published several papers concerning the design of molecular solar thermal systems (M...

Congratulations Daniel!

On June, 20th 2016, Daniel successfully defended his licentiate thesis titled Some phonons wander by mistake, into the mess where symmetry breaks: Understand...


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...