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Aug 2026

From Small Data to High Capacity: Symbolic Learning of Sodium-Ion Cathode Materials.

Data-driven discovery of sodium-ion cathodes is often limited by small data sets and the poor interpretability of graph neural networks (GNNs). Here, we developed Symbol_ETR, an interpretable framework combining symbolic regression with ensemble learning. By constructing explicit nonlinear descriptors, symbolic regress...

Kong Meng, A. Vasenko, E. Chulkov et al. · 0 citations
Aug 2026

Carrier-Lattice Coupling Drives Oxidative Degradation in Mixed Tin-Lead Halide Perovskites: Machine Learning Combined with Nonadiabatic Molecular Dynamics.

Mixed Sn-Pb halide perovskites exhibit excellent optoelectronic properties but suffer rapid degradation due to the facile oxidation of Sn2+ to Sn4+. Here, we establish a multiscale framework to uncover how cation ordering, surface defect chemistry, hole localization, and carrier dynamics collectively drive the initiati...

Hao-Ran Lu, Kong Meng, Xu-Hui Xu et al. · 0 citations

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