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Journal of Materials Informatics

C O NT E NT S

1 An integrated design of novel RAFM steels with targeted microstructures and tensile properties using
machine learning and CALPHAD
Xiaochen Li, Mingjie Zheng, Hao Pan, Chunliang Mao, Wenyi Ding
J. Mater. Inf. 2024, 4, 27 http://dx.doi.org/10.20517/jmi.2024.44

2 N-heterocyclic carbene coordinated single atom catalysts on C N for enhanced nitrogen reduction
2
Wenming Lu, Dian Zheng, Daifei Ye, Jiasheng Peng, Xiaxia Gong, Jing Xu, Wei Liu
J. Mater. Inf. 2024, 4, 31 http://dx.doi.org/10.20517/jmi.2024.65

3 An optimized strategy for density prediction of intermetallics across varied crystal structures via graph
neural network
Dexin Zhu, Mingshuo Nie, Hong-Hui Wu, Chunlei Shang, Jiaming Zhu, Xiaoye Zhou6, Yuan Zhu, Feiyang Wang,
Binbin Wang, Shuize Wang, Junheng Gao, Haitao Zhao, Chaolei Zhang, Xinping Mao
J. Mater. Inf. 2025, 5, 8 http://dx.doi.org/10.20517/jmi.2024.76

4 Machine-learning prediction of facet-dependent CO coverage on Cu electrocatalysts
Shanglin Wu, Shisheng Zheng, Wentao Zhang, Mingzheng Zhang, Shunning Li, Feng Pan
J. Mater. Inf. 2025, 5, 14 http://dx.doi.org/10.20517/jmi.2024.77

5 Accelerating phase-field simulation of coupled microstructural evolution using autoencoder-based recurrent
neural networks
Aidan Gesch, Chongze Hu
J. Mater. Inf. 2025, 5, 42 http://dx.doi.org/10.20517/jmi.2025.23

6 Data-driven OLED candidate design: a generative model from independent-property domains to the
comprehensive performance enhancement
Xinxin Niu, Zhiyao Su, Luyu Wang, Wenbin Shi, Hengyue Zhang, Yanfeng Dang, Yuan Yuan, Yajing Sun,
Wenping Hu
J. Mater. Inf. 2025, 5, 45 http://dx.doi.org/10.20517/jmi.2025.22

IV
Journal of Materials Informatics