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Qian-Kun Li

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#graph neural networks Open access Sep 2026

Machine Learning-Assisted Performance Prediction and Design of MXene Materials

Here, reported ML-assisted studies on MXene prediction and design are organized by target property and workflow, and ML–DFT screening, graph neural networks, uncertainty quantification, active learning, and interpretability are examined.

Ling-Hong Lu, Qian-Kun Li, Xin-Chen Wang et al. · Smart Chemical Engineering · 0 citations