3 papers
cond-mat.mtrl-sci2026
Magnetic Structures Database from Symmetry-aided High-Throughput Calculations
Hanjing Zhou, Yuxuan Mu, Dingwen Zhang +7
Magnetic structures, which play a central role in determining their physical properties, are known for only very limited compounds. Traditional theoretical approaches to predicting…
cond-mat.mtrl-sci2025
Physically Interpretable Descriptors Drive the Materials Design of Metal Hydrides for Hydrogen Storage
Seong-Hoon Jang, Di Zhang, Hung Ba Tran +5
Designing metal hydrides for hydrogen storage remains a longstanding challenge due to the vast compositional space and complex structure-property relationships. Herein, for the fir…
cs.AI2025
"DIVE" into Hydrogen Storage Materials Discovery with AI Agents
Di Zhang, Xue Jia, Tran Ba Hung +8
Data-driven artificial intelligence (AI) approaches are fundamentally transforming the discovery of new materials. Despite the unprecedented availability of materials data in the s…