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72 积分 2026-04-23 加入
The Shear-Bond Descriptor and Universal Machine-Learning Potential Enable Large-Scale Discovery of Negative Thermal Expansion Materials
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A physics-informed graph-ensemble framework for predicting structure-dependent dielectric properties
1个月前
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Empowering materials science with VASPKIT: a toolkit for enhanced simulation and analysis
5个月前
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Accelerating the prediction of stable materials with machine learning
6个月前
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Mechanistic insights into adsorption–photocatalysis–ozonation synergy for efficient antibiotic removal
Lightning-fast Boundary Element Method
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