Author

Chu-Ying Ouyang

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Preprint Sep 2026

A benchmark dataset and baseline methods for four-dimensional STEM diffraction patterns

Four-dimensional scanning transmission electron microscopy (4D-STEM) records a two-dimensional diffraction pattern at each electron-probe position, yielding spatially resolved reciprocal-space information but large, heterogeneous data volumes. Here we describe 4D-ImageNet, a collection of 174,000 diffraction patterns c...

Yu-Yan Guan, Hao-Ran Zhang, Zian Mao 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.

The findings reveal that Sn oxidation is governed by carrier–lattice coupling through its control over the kinetic accessibility of Sn-centered hole localization, and they identify the suppression of VSn defects and the stabilization of I-rich surface terminations as key design principles for stable Sn–Pb perovskites.

Hao-Ran Lu, Kong Meng, Xu-Hui Xu et al. · Journal of the American Chem... · 0 citations

Jul 2026

Reusability report: Exploring the utility and extensibility of an integrated modelling framework for liquid electrolyte design

A systematic evaluation and multiscale extension of the framework proposed by Yang et al. is presented, showing how data size and composition affect robustness, and demonstrating improved cross-system transferability and multiscale performance over baselines.

Genming Lai, Juntao Zhao, Zekai Liu et al. · Nature Machine Intelligence · 0 citations