53 citations · 131 across the 5 of their papers we have counts for
3 papers · 1 filter
Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra
Nan Xu, Petter Rosander, Christian Schäfer +7
Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the…
Understanding correlations in BaZrO3:Structure and dynamics on the nano-scale
Erik Fransson, Petter Rosander, Paul Erhart +1
Barium zirconate BaZrO3 is one of few perovskites that is claimed to retain an average cubic structure down to 0K at ambient pressure, while being energetically very close to a tet…
Anharmonicity of the antiferrodistortive soft mode in barium zirconate BaZrO
Petter Rosander, Erik Fransson, Cosme Milesi-Brault +6
Barium zirconate (BaZrO) is one of the very few perovskites that is claimed to retain an average cubic structure down to \SI{0}{\K}, while being energetically very close to an…