【教育及工作简历】

1998/7-2002/7 　河南师范大学，化学系，学士

2002/9-2007/7 　中国科学技术大学，化学系，理学博士

2007/8-至 今        上海大学，化学系，副教授

2019/2-2020/7　 多伦多大学，化学系，访问学者

【研究方向】

基于机器学习的分子和材料设计与性能优化

【人才项目】

上海市浦江人才项目

【科研项目】

(1)云南贵金属实验室开放课题，数据驱动的主动渐进搜索算法及其在贵金属合金材料设计中的应用2023.09-2025.08，项目负责人

(2)上海计算化学与化工工程技术研究中心产学研项目，2023.06-2024.05，项目负责人

(3)中国石油集团工程材料研究院有限公司产学研项目，2023.12-2024.04，项目负责人

(4)国家科技部重点研发计划课题，知识与数据双驱动的树脂基复合材料智能设计共性关键技术研发与空间应用, 2022.11-2025.10, 骨干参与

(5)云南省科技处重点研发计划，云南省稀贵金属材料基因工程项目-锡铟材料基因工程专用数据库平台建设及示范，2020.01-2022.12，2200万，骨干参与

(6)国家科技部重点研发计划课题，材料基因工程专用数据库和材料大数据技术，2100万，2016.07-2021.03，骨干参与

(7)上海市自然科学基金，光电转化效率高的无铅钙钛矿太阳能电池材料的理性设计与实验验证，30万，2016.07-2019.06，项目负责人

(8)上海市教委产学研践习项目，2013.1-2013.12， 项目负责人

(9)国家自然科学基金青年科学基金项目，ROS和电子转移诱导的DNA损伤机理的理论研究，2010.01-2013.12，主持

(10)上海高校选拔培养优秀青年教师科研专项基金，2008.12-2010.12，项目负责人

【论文著作】

1.Yanmiao Wu; Zhongwen Shang; Tian Lu; Wenyan Zhou*; Minjie Li*; Wencong Lu*; Target-directed discovery for low melting point alloys via inverse design strategy [J]. Journal of Alloys and Compounds, 2024, 971.

2.Xian Zhou; Zhichun Zheng; Tian Lu; Pengcheng Xu; Tongping Chang; Minjie Li*; Wencong Lu*; Interpretable machine learning assisted multi-objective optimization design for small molecule hole transport materials. Journal of Alloys and Compounds, 2023, 966, 171440.

3.Pengcheng Xu; Tian Lu; Xiaobo Ji; Minjie Li*; Wencong Lu*; Machine Learning Combined with Weighted Voting Regression and Proactive Searching Progress to Discover ABO3-δ Perovskites with High Oxide Ionic Conductivity. Journal of Physical Chemistry 2023, 127, 17096.

4.Pengcheng Xu; Xiaobo Ji; Minjie Li*; Wencong Lu*; Small data machine learning in materials science. npj Computational Materials 2023, 9, 42.

5.Pengcheng Xu; Xiaobo Ji; Minjie Li*; Wencong Lu*; Virtual sample generation in machine learning assisted materials design and discovery. Journal of Materials Informatics. 2023, 3, 16.

6.Chen Yang; Chang Ren; Yuefei Jia; Gang Wang*; Minjie Li*; Wencong Lu*; A machine learning-based alloy design system to facilitate the rational design of high entropy alloys with enhanced hardness, Acta Materialia, 2022, 222.

7.Tian Lu; Minjie Li*; Lu Wencong*; Tongyi Zhang*; Recent progress in the data-driven discovery of novel photovoltaic materials. Journal of Materials Informatics 2022, 2:7.

8.Tian Lu; Hongyu Li; Minjie Li*; Wang Shenghao*; Lu Wencong*; Predicting Experimental Formability of Hybrid Organic−Inorganic Perovskites via Imbalanced Learning, Journal of Physical Chemistry Letters, 2022, 13, 3032.

9.Liu Xiujuan; Shao Yueyue; Lu Tian; Chang Dongping; Minjie Li*; Wencong Lu*; Materials and Design, 2022, 216, 110561.

10.Zhengheng Lian; Minjie Li*; Wencong Lu*; Fatigue life prediction of aluminum alloy via knowledge-based machine learning , International Journal of Fatigue, 2022, 157.

11.Xu Pengcheng; Chen Huimin; Li Minjie*; Wencong Lu*; New Opportunity: Machine Learning for Polymer Materials Design and Discovery. Advanced. Theory Simulation, 2022, 2100565.

12.Qiuling Tao; Pengcheng Xu; Minjie Li*; Wencong Lu*; Machine learning for perovskite materials design and discovery, npj Computational Materials, 2021, 7(23). (高倍引论文)

13.Qiuling Tao; Tian Lu; Long Li; Wencong Lu*; Minjie Li*; Machine Learning Aided Design of Perovskite Oxide Materials for Photocatalytic Water Splitting, Journal of Energy Chemistry, 2021, 60: 351-359. (热点论文)

14.Zhang, Shilin; Lu, Tian; Xu, Pengcheng; Tao, Qiuling; Li, Minjie*; Lu, Wencong* ; Predicting the Formability of Hybrid Organic-Inorganic Perovskites via an Interpretable Machine Learning Strategy, Journal of Physical Chemistry Letters, 2021, 12(31): 7423-7430

15.Su, Tianhao; Cui, Yaning; Lian, Zhengheng; Hu, Minglang; Li, Minjie*; Lu, Wencong*; Ren, Wei*; Physics-Based Feature Makes Machine Learning Cognizing Crystal Properties Simple, Journal of Physical Chemistry Letters, 2021, 12(35): 8521-8527.

16.Tao, Qiuling; Chang, Dongping; Lu, Tian; Li, Long; Chen, Huimin; Yang, Xue; Liu, Xiujuan; Li, Minjie*; Lu, Wencong*; Multiobjective Stepwise Design Strategy-Assisted Design of High-Performance Perovskite Oxide Photocatalysts. Journal of Physical Chemistry C 2021, 125 (38), 21141-21150.

17.Xu, Pengcheng; Chang, Dongping; Lu, Tian; Li, Long; Li, Minjie*; Lu, Wencong*; Search for ABO3 Type Ferroelectric Perovskites with Targeted Multi-Properties by Machine Learning Strategies. Journal of Chemical Information and Modeling, 2021: 10.1021/acs.jcim.1c00566.

18.Lu, Tian; Li, Minjie*; Yao, Zhenpeng*; Lu, Wencong*; Accelerated discovery of boron-dipyrromethene sensitizer for solar cells by integrating data mining and first principle. Journal of Materiomics, 2021, 7 (4), 790-801.

【专著教材】

1. 陆文聪，李敏杰，纪晓波，卢天，基于机器学习的材料设计，科学出版社，2024

2. 陆文聪，李敏杰，纪晓波，材料数据挖掘方法与应用，化学工业出版社，2022

3. 廖小飞，李敏杰，C语言程序设计与实践，电子工业出版社，2015年

4. 胡跃飞，林国强，《现代有机反应系列丛书：碳-碳键的生成反应（第四卷）》，李敏杰参与编写第一章巴比耶反应，化学工业出版社，2008