主持了国家重点研发计划（国家合作）项目、自然科学基金项目、中国科学院信息化专项课题、院基础前沿科学研究0-1原始创新项目、院网信专项“大数据+人工智能”应用示范项目、院先导A类/B类子课题、赣江创新研究院自主部署项目、宁德时代开放基金等。在国内外刊物发表学术论文50余篇。申请专利16项，软件著作权19项，申请团体标准1项。

1.Yang Yuan, Sihan Liang, Ji Zhang, Yangang Wang, Zongguo Wang*, “A deep learning framework for scientific chart data extraction and reconstruction”, communications engineering, (2026)

2. Anyu Liu†, Xin Ding†, Yang Yuan†, Chao Fang*, Zongguo Wang*, Geng Li, Yangang Wang, Tao Qi, Guoping Hu*. “Machine-learning-assisted performance prediction and elucidation of governing factors in rare-earth solvent extraction systems”, Separation and Purification Technology, 398(2026):138089.

3. Ziyi Chen, Yang Yuan, Sihan Liang, Meng Wan, Kai Li, Weiqi Zhou, Yangang Wang, Zongguo Wang*. “An automatic scientific data collection framework for materials science”. Computational Materials Science, 252(2025):113772.

4. Zongguo Wang*, Ziyi Chen, Yang Yuan, Yangang Wang. “CrySPAI: A New Crystal Structure Prediction Software Based on Artificial Intelligence”. Inventions, 10(2)(2025):26. 

5. Jinjin Dong, Wenjun Yang*, Haolin Liu, Jingwen Wu, and Zongguo Wang*, “A Generalizable Machine Learning Framework for Identifying Sustainable Multi-Ion Garnet Electrolytes” ACS Applied Materials & Interfaces, 17(2025):41868-41882.

6. Yang Yuan, Ziyi Chen, Tianyu Feng, Fei Xiong, Jue Wang, Yangang Wang, Zongguo Wang*. “Tripartite interaction representation algorithm for crystal graph neural networks”. Scientific Reports, 14(2024):24881.

7. Zi-Yi Chen†, Fan-Kai Xie†, Meng Wan†, Yang Yuan, Miao Liu*, Zong-Guo Wang*, Sheng Meng and Yan-Gang Wang. “MatChat: A large language model and application service platform for materials science”. Chinese Physics B 32(2023):118104

8. Shunde Li†, Zongguo Wang†, Lingkun Bu†, Jue Wang*, Zhikuang Xin, Shigang Li, Yangang Wang, Yangde Feng, Peng Shi, Yun Hu, and Xuebin Chi. “ANT-MOC: Scalable Neutral Particle Transport Using 3D Method of Characteristics on Multi-GPU Systems”. SC '23: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis.

9. Zhiwei Liu, Jialong Guo, Ziyi Chen, Zongguo Wang*, Zhenan Sun, Xianwei Li, Yangang Wang. “Swarm intelligence for new materials”. Computational Materials Science. 214(2022):111699.

10. Jialong Guo, Ziyi Chen, Zhiwei Liu, Xianwei Li, Zhiyuan Xie, Zongguo Wang*, Yangang Wang. “Neural network training method for materials science based on multi-source databases”. Scientific Reports. 12 (2022): 15326.