People

Please write directly to Dr. Pavlo Dral (dral@xmu.edu.cn), if you want to apply for a post-doc position.

September 17, 2020: From left to right Yanchi Ou (欧彦池), Yifan Hou (侯一帆), Peikun Zheng (郑培锟, co-supervised), Pavlo Dral, Bao-Xin Xue (薛宝鑫), Wudi Yang (杨吴迪), Lina Zhang (张丽娜), Shuang Zhang (张塽)

PhD Students

Lina Zhang (张丽娜), M.Sc.

E-mail: linazhang [at] stu.xmu.edu.cn

Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China

Education

From 2020PhD
2017–2020Master of Science in physical chemistry
Xiamen University
Supervisor: Zhenhua Chen
Thesis: Investigation on the Electron Transfer Mechanism of
Mixed-Valence Dinuclear Ruthenium Complexes:
A Case Study of the Creutz-Taube Ion
2013–2017Bachelor of Science in materials chemistry
China University of Petroleum (East China)
Thesis: Theoretical Investigation of the “Anti-electrostatic” Hydrogen and Halogen Bonds

Publications

  1. Changwei Wang,* Yuzhuang Fu, Lina Zhang, David Danovich, Sason Shaik,* Yirong Mo,* Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature? J. Comput. Chem201839, 481–487. DOI: 10.1002/jcc.25068

Co-supervised PhD Students

Peikun Zheng (郑培锟), B.Sc.

Supervisors: Wei Wu, Peifeng Su

E-mail: pkzheng [at] stu.xmu.edu.cn

Education

From 2017PhD
2013–2017Bachelor of Science in chemistry
Xiamen University

Publications

  1. Fuming Ying, Chen Zhou, Peikun Zheng, Jiamin Luan, Peifeng Su,* Wei Wu, λ-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter. Front. Chem. 2019, 7, 225. DOI: 10.3389/fchem.2019.00225.

Bili Chen (陈碧丽), B.Sc.

Supervisors: Nanfeng Zheng, Gang Fu

E-mail: blchen95 [at] stu.xmu.edu.cn

Education

From 2017PhD
2013–2017Bachelor of Science in chemistry
China University of Petroleum (East China)

Publications

Jian Peng, Bili Chen, Zhichang Wang, Jing Guo, Binghui Wu, Shuqiang Hao, Qinghua Zhang, Lin Gu, Qin Zhou, Zhi Liu, Shuqin Hong, Sifan You, Ang Fu, Zaifa Shi, Hao Xie, Duanyun Cao, Chang-Jian Lin, Gang Fu, Lan-Sun Zheng, Ying Jiang, Nanfeng Zheng, Surface coordination layer passivates oxidation of copper, Nature 2020, 586, 390–394. DOI: 10.1038/s41586-020-2783-x.

Master Students

Bao-Xin Xue

Bao-Xin Xue (薛宝鑫), B.Sc.

E-mail: bxxue [at] stu.xmu.edu.cn

Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China

Education

From 2019Master of Science in physical chemistry
Thesis: Quantum chemical and machine learning investigation of excited-state properties of organic molecules
2015–2019Bachelor of Science in chemistry
Fuzhou University
Thesis: The perovskite solar cells based on mesoporous TiO2

Publications

  1. Bao-Xin Xue, Mario Barbatti*, Pavlo O. Dral*, Machine Learning for Absorption Cross Sections, J. Phys. Chem. A 2020, 124, 7199–7210. DOI: 10.1021/acs.jpca.0c05310.
    Preprint on ChemRxiv, DOI: 10.26434/chemrxiv.12594191.

Shuang Zhang (张塽), B.Sc.

E-mail: shuangz [at] stu.xmu.edu.cn

Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China

Education

From 2020Master of Science in physical chemistry
2015–2020Bachelor of Science in chemistry
Fujian Normal University
Thesis: Synthesis of a series of waterborne polyurethane of different graphene/ nickel complex content by in-situ polymerization

Wudi Yang (杨吴迪), B.Sc.

E-mail: yangwudi [at] stu.xmu.edu.cn

Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China

Education

From 2020Professional Master in Materials and Chemical Engineering
2015–2019Bachelor of Science in Applied Chemistry
Nanyang Normal University
Thesis: Diaphragm-free Double-Cell Electrolyzed Water System Based on MoSe2-NixSey Cathode Material

Undergraduate Students

Yifan Hou (侯一帆)

E-mail: yfhou2000 [at] stu.xmu.edu.cn

Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China

Yanchi Ou (欧彦池)

E-mail: yanchiou [at] stu.xmu.edu.cn

Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China

Group photos

October 20, 2019