教授、博士生导师
电话：（0592）**
电子邮箱：supi@xmu.edu.cn

个人简历：
厦门大学理学学士（2001年6月）；
厦门大学理学博士（2007年12月）；
美国明尼苏达大学化学系访问****（2006年11月-2007年1月）
美国内布拉斯加大学化学系博士后（2008年2月-2009年10月）
2015年度福建省自然科学奖一等奖，第三完成人.
福建省2017年度新世纪优秀人才支持

研究兴趣：
1. 分子相互作用理论方法、计算程序发展与应用 2. 化学键理论方法、程序与应用
近期主要代表论著：

https://www.researchgate.net/profile/Peifeng-Su/research

1. Zhang, Y.; Wang, W.; Lasorne, B.;* Su, P.;* Wu, W. Diabatization around Conical Intersections with a New Phase-Corrected Valence-Bond-Based Compression Approach, J. Phys. Chem. Lett. 2021 12, 7, 1885,
2. Zheng, P.; Ji, C.; Yang, F.; Su, P.;* Wu, W.* A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited. Molecules 2021, 26, 521
3.Su, T.; Tang, Z.; Yin, C.; Yang, Y.; Wang, H.; Peng, L.; Su, Y.; Su, P.;* Li, J.* Insights into quaternary ammonium-based ionic liquids series with tetrafluoroborate anion for CO2 capture. J. Mol. Liq. 2021, 327:114857
4.Wang, Y.; Su, P.* Why Can Cationic Halogen Bond Donors Activate the Ritter-Type Solvolysis of Benzhydryl Bromide but Cationic Hydrogen Bond Donors Can Not? ACS Omega 2020, 5, 21862.
5.Zhang, Y.; Su, P.;* Lasorne, B.;* Bra?da, B.; and Wu, W. A Novel Valence-Bond-Based Automatic Diabatization Method by Compression, J. Phys. Chem. Lett. 2020, 11, 5295.
6. Su, P.*; Tang, Z.; Wu, W.* Generalized Kohn-Sham energy decomposition analysis and its applications, WIREs. Comput. Mol. Sci. 2020; e1460.
7. Tang, Z.; Jiang, Z.; Chen, H.; Su, P.*; Wu, W. Energy decomposition analysis based on broken symmetry unrestricted density functional theory, J. Chem. Phys. 2019, 151, 244106.
8. Ying, F.; Zhou, C.; Zheng, P.; Luan, J.; Su, P.*; Wu, W. l-density functional valence bond: a valence bond-based multiconfigurational density functional theory with a single variable hybrid parameter, Front. Chem. 2019, 7, 225.
9. Li, M.; Zhang, H.; Gao, F.; Tang, Z.; Zeng, D.; Pan, Y.; Su, P.*; Ruan, Y.; Xu, Y.; Weng, W*. A cyclic cinnamate dimer mechanophore for multimodal stress responsive and mechanically adaptable polymeric materials, Poly. Chem. 2019, 10, 905.
10.Zhang, Y.; Chen, S.; Ying, F.; Su, P.*; Wu, W. Valence bond based energy decomposition analysis scheme and its application to cation-pi interactions, J. Phys. Chem. A. 2018, 122, 5886.
11. Shen, D.; Su, P.*; Wu, W. What kind of neutral halogen bonds can be modulated by solvent effects?, Phys. Chem. Chem. Phys. 2018, 20, 26126.
12.Zhou, C.; Zhang, Y.; Gong, X.; Ying, F.; Su, P.*; Wu, W. Hamiltonian Matrix Correction Based Density Functional Valence Bond Method, J. Chem. Theory Comput. 2017, 13, 627.
13. Liu, Z.; Trindle, C.; Gu, Q.*; Wu, W.; Su, P.* Unravelling hydrogen bonding interactions of tryptamine–water dimer from neutral to cation, Phys. Chem. Chem. Phys. 2017, 19, 25260.
14.Chang, X.; Zhang, Y.; Weng X.; Su, P.*; Wu W.; Mo, Y. Red-shifting versus blue-shifting hydrogen bonds perspective from ab initio valence bond theory, J. Phys. Chem. A. 2016, 120, 2749.
15. Su, P.*; Chen, H.; Wu, W. An energy decomposition analysis study for intramolecular non-covalent interaction in solvated environment, Sci. China Chem. 2016, 59, 1025.
16. Chang, X.; Chen, Z.; Su, P.*; Wu, W. The CO rotation in the gaseous glycine. An energy decomposition analysis study, Chem. Phys. Lett. 2015, 640, 194.
17. Su, P.*; Chen, Z.; Wu, W. An energy decomposition analysis study for intramolecular non-covalent interaction, Chem. Phys. Lett. 2015, 635, 250.
18. Huang, J.; Ying, F.; Su, P.*; and Wu W.* VBEFP/PCM: a QM/MM/PCM approach for valence-bond method and its application for the vertical excitations of formaldehyde and acetone in aqueous solution, Sci. China Chem. 2014, 57, 1409.
19. Su, P.*; Jiang Z.; Chen, Z.; Wu, W. "Energy decomposition scheme based on the generalized Kohn–Sham scheme" J. Phys. Chem. A. 2014, 118, 2531.
20. Chang, X.; Su, P.*; Wu, W. Internal rotation barrier of the XH3YH3(X, Y = C or Si) molecules. An energy decomposition analysis study. Chem. Phys. Lett. 2014, 610, 246.
21. Su, P.; and Wu. W.* Ab initio nonorthogonal valence bond methods. WIREs. Comput. Mol. Sci. 2013, 3, 56.
22. Ying, F.; Chang, X.; Su, P.*; and W. Wu. VBEFP: a valence bond approach that incorporates effective fragment potential method. J. Chem. Phys. A. 2012, 116, 1846.
23.苏培峰，吴玮* 经典价键理论的从头算计算方法,化学进展, 2012, 24, 1001.
24. Su, P.*; Liu, H.; Wu, W. Free energy decomposition analysis of bonding and nonbonding interactions in solution." J. Chem. Phys. 2012, 137, 034111.
25. Su, P.; Wu, J.; Gu, J.; Wu, W.*; Shaik, S.*; Hiberty, P.* Bonding conundrums in the C2 molecule: a valence bond study. J. Chem. Theory Comput. 2011, 7, 121.