most cited"DIVE" into Hydrogen Storage Materials Discovery with AI Agents

29 citations · 48 across the 7 of their papers we have counts for

collaborators

9 papers

cs.IR2026

When Literature Data Mislead Artificial Intelligence in Materials Discovery

Qian Wang, Ying Li, Ryuhei Sato +4

Artificial intelligence (AI) increasingly treats scientific literature as a data source for building databases, training predictive models, and guiding discovery. Yet literature-de…

cond-mat.mtrl-sci2026

Why Ammoniated Lithium Borohydrides Liquefy and Resolidify?

Qian Wang, Zixin Xu, Ryuhei Sato +7

Ammonia (NH) absorption drives LiBHNH through a re-entrant ``solid--liquid--solid'' transition: LiBHNH is a well-defined solid ammoniate, compositio…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

A unified descriptor framework for hydrogen storage capacity and equilibrium pressure in interstitial hydrides

Seong-Hoon Jang, Di Zhang, Xue Jia +9

Hydrogen is a promising energy carrier, yet its practical deployment is limited by the lack of storage materials that simultaneously achieve high storage capacity () and practic…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

Competing Hydrogenation Pathways to Metastable CaH Revealed by Machine-Learning-Potential Molecular Dynamics

Ryuhei Sato, Peter I. C. Cooke, Maélie Caussé +7

The synthesis of the high- superhydride CaH has stimulated significant interest in understanding synthesis pathways for metastable hydrides. However, the microscopic mecha…

cond-mat.mtrl-sci2025

Tuning Stability of AB3-Type Alloys by Suppressing Magnetism

Hung Ba Tran, Toyoto Sato, Ryuhei Sato +3

Hydrogen is a promising clean energy carrier, yet effective and reversible storage remains challenging. AB3-type intermetallic alloys are promising for solid-state hydrogen storage…

cond-mat.mtrl-sci2025★ 19 cited

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★ 29 cited

"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…