15 citations · 20 across the 4 of their papers we have counts for
4 papers · 1 filter
Material exploration through active learning -- METAL
Joakim Brorsson, Henrik Klein Moberg, Joel Hildingsson +3
The discovery and design of new materials are paramount in the development of green technologies. High entropy oxides represent one such group that has only been tentatively explor…
Thermodynamic properties for metal oxides from first-principles
Joakim Brorsson, Ivana Staničić, Jonatan Gastaldi +2
In this study, an efficient first-principles approach for calculating the thermodynamic properties of mixed metal oxides at high temperatures is demonstrated. More precisely, this…
A Computational Assessment of the Efficacy of Halides as Shape-Directing Agents in Nanoparticle Growth
Joakim Löfgren, J. Magnus Rahm, Joakim Brorsson +1
We report a comprehensive study of aqueous halide adsorption on nanoparticles of gold and palladium that addresses several limitations hampering the use of atomistic modeling as a…
Thermal conductivity in intermetallic clathrates: A first principles perspective
Daniel O. Lindroth, Joakim Brorsson, Erik Fransson +3
Inorganic clathrates such as BaGaGe and BaAlSi commonly exhibit very low thermal conductivities. A quantitative computational description of t…