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From Materials Database to Materials Bank: Assetizing Data for AI Driven Materials Innovation
Chenyao Ma, Di Zhang, Weibo Gong +9
Driven by high-throughput experimentation, computational modeling, and artificial intelligence (AI), materials data has expanded at an unprecedented rate. Conventional materials da…
Building a physics-aware AI ecosystem for solid-state hydrogen storage materials
Seong-Hoon Jang, Yiwen Yao, Chuanyu Liu +66
Hydrogen storage remains a central bottleneck for scalable hydrogen energy systems due to the multiscale and coupled nature of the thermodynamics, kinetics, and microstructural evo…
Digital Hydrogen Platform (DigHyd): A Rigorously Curated Database for Hydrogen Storage Materials Empowered by AI-Assisted Literature Mining
Seong-Hoon Jang, Di Zhang, Xue Jia +8
Solid-state hydrogen storage materials are promising candidates for safe and compact hydrogen storage; however, data-driven discovery in this field remains limited by the availabil…
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…
Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
Zhijian Liu, Yan Liu, Bingqian Zhang +10
Developing a universal and precise design framework is crucial to search high-performance catalysts, but it remains a giant challenge due to the diverse structures and sites across…