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cs.LG2026
Unraveling the Size Determination Mechanism of Nanocrystal Synthesis via Interpretable Neural Networks
Kai Gu, Haizheng Zhong
Deep learning models of nanocrystal synthesis enable the prediction of size and shape by encoding precursors and reaction conditions. However, their black-box nature hinders gainin…
cond-mat.mtrl-sci2026
A large-scale nanocrystal database with aligned synthesis and properties enabling generative inverse design
Kai Gu, Yingping Liang, Senliang Peng +3
The synthesis of nanocrystals has been highly dependent on trial-and-error, due to the complex correlation between synthesis parameters and physicochemical properties. Although dee…