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cond-mat.mtrl-sci2025
FF7: A Code Package for High-throughput Calculations and Constructing Materials Database
Tiancheng Ma, Zihan Zhang, Shuting Wu +2
Decades accumulation of theory simulations lead to boom in material database, which combined with machine learning methods has been a valuable driver for the data-intensive materia…
cond-mat.mtrl-sci2024
The Critical Metallization of Hydrogen in Pressurized LaBeH8 Hydride
Zihan Zhang, Tian Cui, Yansun Yao +6
Behaviours of hydrogen, such as fluidity and metallicity, are crucial for our understanding of planetary interiors and the emerging field of high-temperature superconducting hydrid…