3 papers
physics.chem-ph2025
Omics-scale polymer computational database transferable to real-world artificial intelligence applications
Ryo Yoshida, Yoshihiro Hayashi, Hidemine Furuya +103
Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such a…
cond-mat.supr-con2025
Superconductor discovery in the emerging paradigm of Materials Informatics
Huan Tran, Hieu-Chi Dam, Christopher Kuenneth +2
The last two decades have witnessed a tremendous number of computational predictions of hydride-based (phonon-mediated) superconductors, mostly at extremely high pressures, i.e., h…
cs.LG2025
Synergistic Fusion of Multi-Source Knowledge via Evidence Theory for High-Entropy Alloy Discovery
Minh-Quyet Ha, Dinh-Khiet Le, Duc-Anh Dao +6
Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient explorat…