463 citations · 787 across the 17 of their papers we have counts for
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cond-mat.supr-con2025★ 2 cited
Super-hard and superconducting boron clathrates in the prediction of U-B compounds
Juefei Wu, Dexi Shao, Junjie Wang +6
The binary metal borides provide a promising platform for searching unique materials with superconductivity and super-hardness under high pressure, owing to the distinctive bonding…
physics.comp-ph2025★ 1 cited
GPU-MetaD: Full-Life-Cycle GPU Accelerated Metadynamics with Machine Learning Potentials
Haoting Zhang, Qiuhan Jia, Zhennan Zhang +6
Large-scale molecular dynamics simulations with high accuracy have been increasingly popular for their capability to bridge the gap between atomistic modeling and mesoscale phenome…
cond-mat.mtrl-sci2025
GPUTB: Efficient Machine Learning Tight-Binding Method for Large-Scale Electronic Properties Calculations
Yunlong Wang, Zhixin Liang, Chi Ding +5
The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map t…