Lattice thermal conductivity of half-Heuslers with density functional theory and machine learning: Enhancing predictivity by active sampling with principal component analysis
Abstract:Low lattice thermal conductivity is essential for high thermoelectric performance of a material. Lattice thermal conductivity is often computed based on density functional theory calculations, but such calculations carry a high computational cost and machine learning is therefore increasingly being used to estimate lattice thermal conductivity at a much lower computational expense. With the ability to asses larger sets of materials, machine learning could offer an effective procedure to identify low lattice th… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.