Reposted by Bianca Pasca
BaZrS3 is an emerging solar-cell material ☀️ In a preprint led by @biancapasca.bsky.social, we describe an ML potential that can tackle the structural complexity of amorphous and polycrystalline BaZrS3. Very happy to see this online! Read more at arxiv.org/abs/2506.01517
arxiv.org
Machine-learning-driven modelling of amorphous and polycrystalline BaZrS$_{3}$
The chalcogenide perovskite material BaZrS$_{3}$ is of growing interest for emerging thin-film photovoltaics. Here we show how machine-learning-driven modelling can be used to describe the material's ...
