2 papers
cond-mat.mtrl-sci2025
Mapping the Configuration Space of Half-Heusler Compounds via Subspace Identification for Thermoelectric Materials Discovery
Angela Pak, Kamil Ciesielski, Maria Wróblewska +2
Half-Heuslers are a promising family for thermoelectric (TE) applications, yet only a small fraction of their potential chemistries has been experimentally explored. In this work,…
cond-mat.mtrl-sci2023
Leveraging Language Representation for Material Recommendation, Ranking, and Exploration
Jiaxing Qu, Yuxuan Richard Xie, Kamil M. Ciesielski +3
Data-driven approaches for material discovery and design have been accelerated by emerging efforts in machine learning. However, general representations of crystals to explore the…