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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2018

icet v0.2.1 released

We just released version 0.2.1 of icet, a Python library for the construction and sampling of alloy cluster expansions. icet is now also installable via pip....

Melting gold at room temperature

We just published a paper in Physical Review Materials, in which we demonstrate by both experiment and simulation that the topmost surface layers of a gold t...

hiPhive v0.2 released

We just released version 0.2 of hiPhive, a very efficient tool for the construction of high-order force constant expansions. You might want to check this out...

Design principles for phosphors

Phosphor-converted white-light-emitting diodes (pc-WLEDs) are efficient light sources used in lighting, high-tech displays, and electronic devices. A long- s...