2 papers
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-sci2024
Predicted Complex Lithium Phases at Terapascal Pressures
Jack Whaley-Baldwin, Miguel Martinez-Canales, Chris J. Pickard
We investigate the pressure-temperature (-) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and…