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cond-mat.mtrl-sci2025★ 1 cited
Machine learning-driven elasticity prediction in advanced inorganic materials via convolutional neural networks
Yujie Liu, Zhenyu Wang, Hang Lei +6
Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for pr…
cond-mat.mtrl-sci2023
An adaptive preconditioning scheme for the self-consistent field iteration and generalized stacking-fault energy calculations
Sitong Zhang, Xingyu Gao, Haifeng Song +1
The generalized stacking-fault energy (GSFE) is the fundamental but key parameter for the plastic deformation of materials. We perform first-principles calculations by full-potenti…