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.

December 26, 2020: From left to right Fuchun Ge (葛赋春 – joining us in 2021 as a PhD student), Shuang Zhang (张塽), Bao-Xin Xue (薛宝鑫), Lina Zhang (张丽娜), Wudi Yang (杨吴迪), Peikun Zheng (郑培锟, co-supervised), Pavlo Dral, Yifan Hou (侯一帆)

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 2021Postdoc fellow
Xiamen University
2020-2021Postdoc fellow
Shanghai New York University
2015-2019PhD in chemistry
University of Science and Technology of China
Thesis: Stochastic equation of motion (SEOM) approach to fermionic dissipative systems
2012-2014Master 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

  1. Arif UllahLu HanYun-An YanXiao ZhengYiJing 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
  2. Lu Han, Arif UllahYun-An YanXiao ZhengYiJing 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
  3. Hong GongArif UllahLvZhou YeXiao 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
  4. 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 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

ORCID: orcid.org/0000-0002-4202-1067

  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

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 2021PhD
2018–2021Master of Science in analytical chemistry
Xiamen University
Supervisor: Qiuquan Wang
Thesis: Nanoscopic Imaging Platform Based on DNA Origami Structure
2014–2018Bachelor of Science in chemistry
Xiamen University
Thesis: Fluorescent Labeling and Lanthanide Modification of Silica Nanoparticles

Publications

ORCID: orcid.org/0000-0002-0112-5193

  1. 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)
  2. 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 2017PhD
2013–2017Bachelor of Science in chemistry
Xiamen University

Publications

ORCID: orcid.org/0000-0002-0248-936X

  1. Peikun Zheng, Roman Zubatyuk, Wei Wu, Olexandr Isayev*, Pavlo O. Dral*, Artificial Intelligence-Enhanced Quantum Chemical Method with Broad Applicability, submitted, 2021.
  2. 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
  3. 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 2017PhD
2013–2017Bachelor of Science in chemistry
China University of Petroleum (East China)

Publications

ORCID: orcid.org/0000-0001-6853-5632

  1. 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@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

ORCID: orcid.org/0000-0003-1803-3786

  1. 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)
  2. 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 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@stu.xmu.edu.cn

Room B304, 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

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 2021Master of Science in physical chemistry
2017–2021Bachelor 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 2021Master of Science in physical chemistry
2017–2021Bachelor 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

October 20, 2019