People
Please write directly to Dr. Pavlo Dral (dral@xmu.edu.cn), if you want to apply for a master, PhD or post-doc position.
Table of Contents
Postdocs
Arif Ullah (欧拉), Ph.D
E-mail: ua2024@xmu.edu.cn
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2021 | Postdoc fellow Xiamen University |
| 2020-2021 | Postdoc fellow Shanghai New York University |
| 2015-2019 | PhD in chemistry University of Science and Technology of China Thesis: Stochastic equation of motion (SEOM) approach to fermionic dissipative systems |
| 2012-2014 | Master of Science in physics Quaid-i-Azam University Thesis: Monte-Carlo simulation of stochastic differential equations in Plasma physics |
Publications
ORCID: orcid.org/0000-0003-1702-3463
- Arif Ullah, Lu Han, Yun-An Yan, Xiao Zheng, YiJing Yan, and Vladimir Chernyak, Stochastic equation of motion approach to fermionic dissipative dynamics. II. Numerical implementation, J. Chem. Phys. 2020, 152, 204106. DOI: 10.1063/1.5142166
- Lu Han, Arif Ullah, Yun-An Yan, Xiao Zheng, YiJing Yan, and Vladimir Chernyak , Stochastic equation of motion approach to fermionic dissipative dynamics. I. Formalism, J. Chem. Phys. 2020, 152, 204105. DOI: 10.1063/1.5142164
- Hong Gong, Arif Ullah, LvZhou Ye, Xiao Zheng, and YiJing Yan , Quantum entanglement of parallel-coupled double quantum dots: A theoretical study using the hierarchical equations of motion approach, Chinese J. Chem. Phys. 2018, 31, 510-516. DOI: 10.1063/1674-0068/31/CJCP1806138
- Arif Ullah, Majid Khan, M. Kamran, R. Khan, and Zhengmao Sheng. Monte-Carlo Simulation of a Stochastic Differential Equation. Plasma Sci. Technol. 2017, 19, 125001. DOI: 10.1088/2058-6272/aa8f3f
PhD Students
Lina Zhang (张丽娜), M.Sc.
E-mail: linazhang@stu.xmu.edu.cn
Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2020 | PhD |
| 2017–2020 | Master 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 |
| 2013–2017 | Bachelor of Science in materials chemistry China University of Petroleum (East China) Thesis: Theoretical Investigation of the “Anti-electrostatic” Hydrogen and Halogen Bonds |
Publications
ORCID: orcid.org/0000-0002-4202-1067
- 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. Chem. 2018, 39, 481–487. DOI: 10.1002/jcc.25068
Fuchun Ge (葛赋春), M.Sc.
E-mail: gefuchun@stu.xmu.edu.cn
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2021 | PhD |
| 2018–2021 | Master of Science in analytical chemistry Xiamen University Supervisor: Qiuquan Wang Thesis: Nanoscopic Imaging Platform Based on DNA Origami Structure |
| 2014–2018 | Bachelor of Science in chemistry Xiamen University Thesis: Fluorescent Labeling and Lanthanide Modification of Silica Nanoparticles |
Publications
ORCID: orcid.org/0000-0002-0112-5193
- Pavlo O. Dral*, Fuchun Ge, Bao-Xin Xue, Yi-Fan Hou, Max Pinheiro Jr, Jianxing Huang, Mario Barbatti, MLatom 2: An Integrative Platform for Atomistic Machine Learning. Top. Curr. Chem. 2021, 379, 27. DOI: 10.1007/s41061-021-00339-5. (blog post)
- Rong Yuan, Fuchun Ge, Yong Liang, Yang Zhou, Limin Yang, Qiuquan Wang*, Viruslike Element-Tagged Nanoparticle Inductively Coupled Plasma Mass Spectrometry Signal Multiplier: Membrane Biomarker Mediated Cell Counting. Anal. Chem. 2019, 91, 4948–4952. DOI: 10.1021/acs.analchem.9b00749
Co-supervised PhD Students
Peikun Zheng (郑培锟), B.Sc.
Supervisors: Wei Wu, Peifeng Su
E-mail: pkzheng@stu.xmu.edu.cn
Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2017 | PhD |
| 2013–2017 | Bachelor of Science in chemistry Xiamen University |
Publications
ORCID: orcid.org/0000-0002-0248-936X
- Peikun Zheng, Roman Zubatyuk, Wei Wu, Olexandr Isayev*, Pavlo O. Dral*, Artificial Intelligence-Enhanced Quantum Chemical Method with Broad Applicability, submitted, 2021.
- Peikun Zheng, Chenru Ji, Fuming Ying, Peifeng Su, Wei Wu, A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited. Molecules. 2021, 26, 521. DOI: 10.3390/molecules26030521
- 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@stu.xmu.edu.cn
Education
| From 2017 | PhD |
| 2013–2017 | Bachelor of Science in chemistry China University of Petroleum (East China) |
Publications
ORCID: orcid.org/0000-0001-6853-5632
- 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 (薛宝鑫), B.Sc.
E-mail: bxxue@stu.xmu.edu.cn
Room B413, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2019 | Master of Science in physical chemistry Thesis: Quantum chemical and machine learning investigation of excited-state properties of organic molecules |
| 2015–2019 | Bachelor of Science in chemistry Fuzhou University Thesis: The perovskite solar cells based on mesoporous TiO2 |
Publications
ORCID: orcid.org/0000-0003-1803-3786
- Pavlo O. Dral*, Fuchun Ge, Bao-Xin Xue, Yi-Fan Hou, Max Pinheiro Jr, Jianxing Huang, Mario Barbatti, MLatom 2: An Integrative Platform for Atomistic Machine Learning. Top. Curr. Chem. 2021, 379, 27. DOI: 10.1007/s41061-021-00339-5. (blog post)
- 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@stu.xmu.edu.cn
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2020 | Master of Science in physical chemistry |
| 2015–2020 | Bachelor 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@stu.xmu.edu.cn
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2020 | Professional Master in Materials and Chemical Engineering |
| 2015–2019 | Bachelor of Science in Applied Chemistry Nanyang Normal University Thesis: Diaphragm-free Double-Cell Electrolyzed Water System Based on MoSe2-NixSey Cathode Material |
Linqiang Wei (魏淋强), B.Sc.
E-mail: williamqyangyang@gmail.com
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2021 | Master of Science in physical chemistry |
| 2017–2021 | Bachelor of Science in chemistry Shaanxi Normal University Thesis: Study on Preparation and Properties of Biomedical Titanium Alloy Surface Gel Skin |
Ran Wang (汪然), B.Sc.
E-mail: wangran@stu.xmu.edu.cn
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Education
| From 2021 | Master of Science in physical chemistry |
| 2017–2021 | Bachelor of Science in chemistry Shandong Normal University Thesis：Theoretical Study on Nickel、Manganese Synergistically Catalyzed Hydrocarboxylations of Olefins with CO2 |
Undergraduate Students
Yifan Hou (侯一帆)
E-mail: yfhou2000@stu.xmu.edu.cn
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Yanchi Ou (欧彦池)
E-mail: yanchiou@stu.xmu.edu.cn
Room B304, Zengchengkui Building, 182 Daxue Road, Siming District, Xiamen 361005, China
Group photos
