李永乐，系副主任/副教授，yongleli@shu.edu.cn，021-66136131

研究领域：量子动力学、分子动力学、铁电材料相变

教育经历：

1999.08-2002.05东北师范大学附属中学

2002.09-2006.07天津大学 · 应用化学

2004.08-2005.06山东大学 · 化学院交流学生

2006.08-2011.08南京大学 · 理论化学

工作经历：

2012.01-2013.10 新墨西哥大学 · 博士后

2013.11-2015.10 纽约大学 (New York University) · 博士后

2015.11-2016.04 上海大学·物理系特聘副研究员

2016.05-至今 上海大学·物理系副教授

2019.12-2020.12 加州理工学院 (California Institute of Technology) · 访问教授

2022 物理系副主任

2022.06-2023.0 年度校教务部实践处挂职

2022.12- 上海大学课程思政教育基地——鸿之微公司校方联络人

代表性科研项目：

1. 基于量子动力学RPMD的化学反应速率研究（21503130），国家自然科学基金委青年项目，2016/1-2018/12，已结题

2. 青年东方学者启动费，上海市教委，2016/5-2018/5，已结题

3. 青年教师培养资助计划，上海市教委，2017/5-2018/5，已结题

4. 钱伟长学院精品课程建设，上海大学，2018/5-2018/10，已结题

5. CSC国家公派访问学者（美国加州理工学院CalTech），国家留学基金委，2019/12-2021/1，已结题

6. 电磁冶金的凝固形核机理与调控，高品质特殊钢冶金与制备国家重点实验室开放课题，2020/1-2022/1，已结题

7. 上海大学大学生创新项目：引入Cayley传播子的X+H2体系量子动力学研究，2021-2022，已结题

8. “玩转量子世界”科普教育在线课程开发，上海市科委，2021/4-2022/4，在研

9. 基于RPMD的复杂气相双分子反应动力学计算新方法研究，国家自然科学基金委面上项目，2022/1-2025.12，60万，在研

10. 机器学习辅助的第一性原理强关联计算方法开发，上海市科委，2021/10-2023/10，20万，在研

11. 一流研究生教育--学位点课程建设“计算物理”，上海市教委，2021年，7.5万，在研

代表性学术论文：

1 Z. Li, M. Hu, J. Liu, W. Wang, Y. Li, W. Fan, Y. Gong, J. Yao, P. Wang and M. He, Nano Research, 2022, 1-10.

2 X. Gui, W. Fan, J. Sun and Y. Li, J. Chem. Theory Comput., 2022, 18, 5203-5212.

3 R. Wang, F. Xu, X. Gui and Y. Li, Chin. J. Chem. Phys., 2023, 36, 75-84.

4 李永乐, 范文斌 , 任伟, 上海大学学报 (自然科学版), 2022, 28, 896-907.

5 X. Zhu, W. Fan, W. Ren and Y. Li, The Journal of Physical Chemistry C, 2021, 125, 12461-12467.

6 Y. Xue, J.-N. Wang, W. Hu, J. Zheng, Y. Li, X. Pan, Y. Mo, Y. Shao, L. Wang and Y. Mei, The Journal of Physical Chemistry A, 2021, 125, 10677-10685.

7 L. Wang, M. Li, Y. Li, B. Wu, H. Chen, R. Wang, T. Xu, H. Guo, W. Li and J. Joyner, Carbon, 2021, 180, 48-55.

8 Y. Li, W. Fan, X. Li, W. Ren and Y. Li, Chin. J. Chem. Phys., 2021, 34, 843-849.

9 Y. Wu, W. Fan, Z. Gao, Z. Tang, L. Lei, X. Sun, Y. Li, H.-L. Cai and X. Wu, Nano Energy, 2020, 77, 105170.

10 Z. Li, M. He, Y. Wen, X. Zhang, M. Hu, R. Li, J. Liu, J. Chu, Z. Ma, X. Xing, C. Yu, Z. Wei and Y. Li, Inorg. Chem., 2020, 59, 1522-1531.

11 H. Wang, J. Fang, H. Yang, J. Song and Y. Li, Chemical Physics Letters, 2019, 730,227-233.

12 Q. Liu, L. Zhang, Y. Li and B. Jiang, The Journal of Physical Chemistry Letters, 2019, 10, 7475-7481.

13 Z. Li, J. Chu, D. Meng, Y. Wen, X. Xing, H. Miao, M. Hu, C. Yu, Z. Wei, Y. Yang and Y. Li, ACS Catalysis, 2019, 9, 8659-8668.

14 R.-Q. Li, B.-L. Wang, T. Gao, R. Zhang, C. Xu, X. Jiang, J. Zeng, Y. Bando, P. Hu, Y. Li and X.-B. Wang, Nano Energy, 2019, 58, 870-876.

15 Y. Huang, P. Hu, J. Song, Y. Li and A. Stroppa, Chemical Physics Letters, 2019, 730, 367-371.

16 P. Hu, S. Hu, Y. Huang, J. R. Reimers, A. M. Rappe, Y. Li, A. Stroppa and W. Ren, The Journal of Physical Chemistry Letters, 2019, 10, 1319-1324.

17 顾. Gu Xue-hao, 鲁. Lu Lin-feng, 殷. 敏. Yin Min, 田. Tian Shu-quan, 任. 伟. Ren Wei, 李. Li Gao-fei, 杨. Yang Li-you, 李. Li Yong-le and 李. Li Dong-dong, Optics and Precision Engineering, 2019, 27, 756-765.

18 T. Zhu, C. Wu, J. Song, J. R. Reimers and Y. Li, Chemical Physics Letters, 2018, 706, 303-307.

19 R.-Q. Li, P. Hu, M. Miao, Y. Li, X.-F. Jiang, Q. Wu, Z. Meng, Z. Hu, Y. Bando and X.-B. Wang, Journal of Materials Chemistry A, 2018, 6, 24767-24772.

20 Q. Dou, S. Lei, D.-W. Wang, Q. Zhang, D. Xiao, H. Guo, A. Wang, H. Yang, Y. Li, S. Shi and X. Yan, Energy & Environmental Science, 2018, 11, 3212-3219.

21 Z. Zhou, X. Zhou, X. Wang, B. Jiang, Y. Li, J. Chen and J. Xu, The Journal of Physical Chemistry A, 2017, 121, 2780-2789.

22 K. M. Thompson, Y. Gao, P. Marshall, H. Wang, L. Zhou, Y. Li and H. Guo, The Journal of Chemical Physics, 2017, 147, 134302.

23 S. Hu, H. Gao, Y. Qi, Y. Tao, Y. Li, J. R. Reimers, M. Bokdam, C. Franchini, D. Di Sante, A. Stroppa and W. Ren, The Journal of Physical Chemistry C, 2017, 121, 23045-23054.

24 J. Zuo, Y. Li, H. Guo and D. Xie, The Journal of Physical Chemistry A, 2016, 120, 3433-3440.

25 Y. Zhou, S. Wang, Y. Li and Y. Zhang, in Methods Enzymol., ed. A. V. Gregory, Academic Press, 2016, vol. Volume 577, pp. 105-118.

26 M. Bai, D. Lu, Y. Li and J. Li, Physical Chemistry Chemical Physics, 2016, 18, 32031-32041.

27 D. J. Arseneau, D. G. Fleming, Y. Li, J. Li, Y. V. Suleimanov and H. Guo, The Journal of Physical Chemistry B, 2016, 120, 1641-1648.

28 J. Song, Y. Li, C. Ji and J. Z. H. Zhang, Scientific Reports, 2015, 5, 7906.

29 X. Yin, J. Kong, A. De Leon, Y. Li, Z. Ma, E. Wierzbinski, C. Achim and D. H. Waldeck, The Journal of Physical Chemistry B, 2014, 118, 9037-9045.

30 Y. Li, Y. V. Suleimanov and H. Guo, The Journal of Physical Chemistry Letters, 2014, 5, 700-705.

31 Y. Li, Y. V. Suleimanov, W. H. Green and H. Guo, The Journal of Physical Chemistry A, 2014, 118, 1989-1996.

32 A. Li, Y. Li, H. Guo, K.-C. Lau, Y. Xu, B. Xiong, Y.-C. Chang and C. Y. Ng, The Journal of Chemical Physics, 2014, 140, 011102-011105.

33 Y. Li, Y. V. Suleimanov, M. Yang, W. H. Green and H. Guo, The Journal of Physical Chemistry Letters, 2013, 4, 48-52.

34 Y. Li, Y. V. Suleimanov, J. Li, W. H. Green and H. Guo, The Journal of Chemical Physics, 2013, 138, 094307-094315.

35 J. Li, Y. Li and H. Guo, The Journal of Chemical Physics, 2013, 138, 141102-144104.

36 J. Gao, J. D. Roehling, Y. Li, H. Guo, A. J. Moule and J. K. Grey, Journal of Materials Chemistry C, 2013, 1, 5638-5646.

37 S. G. Ard, J. J. Melko, B. Jiang, Y. Li, N. S. Shuman, H. Guo and A. A. Viggiano, The Journal of Chemical Physics, 2013, 139, 144302.

38 J. W. Allen, W. H. Green, Y. Li, H. Guo and Y. V. Suleimanov, The Journal of Chemical Physics, 2013, 138, 221103.

39 Y. Mei, Y. L. Li, J. Zeng and J. Z. H. Zhang, Journal of Computational Chemistry, 2012, 33, 1374-1382.

40 Y. Li and H. Guo, Theor Chem Acc, 2012, 132, 1-8.

41 B. Jiang, L. Han, Y.-L. Li, X.-L. Zhao, Y. Lei, D.-Q. Xie and J. Z. H. Zhang, The Journal of Organic Chemistry, 2012, 77, 1701-1709.

42 Y. L. Li, Y. Mei, D. W. Zhang, D. Q. Xie and J. Z. H. Zhang, The Journal of Physical Chemistry B, 2011, 115, 10154-10162.

43 Y. Tong, Y. Mei, Y. L. Li, C. G. Ji and J. Z. H. Zhang, Journal of the American Chemical Society, 2010, 132, 5137-5142.

44 L. Duan, Y. Mei, Y. Li, Q. Zhang, D. Zhang and J. Z. Zhang, Science China Chemistry, 2010, 53, 196-201.

45 Y. L. Li, L. Han, Y. Mei and J. Z. H. Zhang, Chemical Physics Letters, 2009, 482, 217-222.

软件自主知识产权四项：

1. 化学反应动力学反应路径搜索程序；

2. 化学反应动力学过渡态搜索程序；

3. 化学反应动力学RPMDrate后处理软件；

4. 极化晶体电荷PCC计算程序。

（最后更新日期：2023..03.27）