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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Congratulations Tuomas!

Tuomas was just awarded a Horizon 2020 Marie Skłodowska-Curie Fellowship for his project “Towards nanoscale reality in plasmonic hot-carrier generation”! In ...

Hot carriers from plasmon decay

Metallic nanoparticles can support strong localized surface plasmon resonances (LSPRs). The decay of these excitations leads to the creation of hot carriers,...

icet 0.3 and hiphive 0.4 released

We just released version 0.3 of our cluster expansion code icet and version 0.4 of our force constant expansion package hiphive). Both packages can be instal...


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...