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....
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.
2018
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...
Advancing molecular solar thermal storage
Renewable and clean energy sources are a very active research area. As an increasing part of our energy demand is provided from renewables, technologies for ...
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...