People
We welcome motivated graduate and undergraduate students to join our group.
Principal Investigator
Dr. Hao DONG
Professor, Kuang Yaming Honors School, Nanjing University
Prof. Hao Dong is a chemistry Professor in Kuang Yaming Honors School, Nanjing University. He maintains a steady interest in understanding general questions in both chemical and biological systems by using multi-scale computational methods.
Postdoctoral
Yuqin YANG
2026, Postdoctoral Fellow
- Molecular modelling about channel and cytomembrane;
- Self-assembly peptides.
Graduate Students
Mingjie JIANG
2020, Ph.D. Candidate
Extract features of group behavior from schooling fish;
Design chemical syntheses with deep neural networks.
Ruizhe SHEN
2020, Ph.D. Candidate
Joint student with Prof. Wei Wang
Molecular dynamics simulation.
Anyu ZHOU
2020, Ph.D. Candidate
Joint student with Prof. Wei Wang
Molecular dynamics simulation of complex systems.
Xiaoyu WANG
2023, Ph.D. Candidate
2020-2023, Master Degree
Self-assembly peptides;
Molecular dynamics simulation of Metal-Organic Framework.
Yanbing WEN
2024, Ph.D. Candidate
Liquid-liquid phase separation;
Developing new enhanced sampling algorithms
Guihong LIANG
2025, Ph.D. Candidate
- Search for Chemical Reaction Transition States based on Machine Learning
Maiomiao ZHAO
2023, Master Degree Candidate
Joint student with Prof. Wei Wang
Protein Reconstruction Based on Deep Learning Methods&Brain Science
Yijian ZHANG
2023, Master Degree Candidate
Protein mutation and structure prediction based on machine learning.
Haipeng GAN
2024, Master Degree Candidate
Machine-learning driven protein-peptide/peptide-peptide interactions prediction.
Yin MA
2024, Master Degree Candidate
Molecular dynamics simulation
Jinxiang XIE
2025, Master Degree Candidate
LLM-driven scientific information extraction & structured reasoning
Yingtao SUN
2025, Master Degree Candidate
Studying smart particle motion through reinforcement learning
Xiangyu CAO
2025, Master Degree Candidate
Machine learning force fields
Undergraduate Students
Xinyu SHI
2022，Undergraduate
peptides prediction and generation based on machine learning
Visiting Scholars/Students
Fanxuan ZHANG
Self-assembly peptides
Molecular Dynamics Simulation of Peptides
Panhavuth Ith
University of Minnesota
Machine learning Force Fields
Roman Tsiniavskii
Moscow Institute of Physics and
Technology (MIPT)
Molecluar Dynamics
Hera
Computational structural biology mechanism of PFAS-induced diseases
Xinyu TIAN
Molecular recognition mechanism simulation of Caspase-3 and its substrate/inhibitor
Alumni
Jun HUO
2021 – 2025, Ph.D.
2019 – 2021, Visiting Student
Molecular dynamics simulation of membrane protein.
Now at BIDU, Beijing
Cong XIE
2022 – 2025, Master
Chemical Reaction Prediction and Retrosynthesis with AI.
Min ZANG
2021 – 2024, Master
Xuejie ZHOU
2019 – 2022, Master
Now at ByteDance Ltd.
Yiqiao WANG
2019 – 2022, Master
Now at ENN Energy Holdings Limited
Shuyi GUO
2019 – 2022, Master
Joint student with Prof. Wei Wang
Yijun BAI
2019 – 2022, Master
Joint student with Prof. Wei Wang
Now at Nanjing University
Zhihan NI
2019 – 2020, Undergraduate
Now at ByteDance Ltd.
Jiayu WANG
2019, Undergraduate
Lingqi WU
2019, Undergraduate
Chenning YU
2019, Undergraduate
Jiasheng GUO
2019 – 2021, Undergraduate
Now at Peking University
Runping CHEN
2018 – 2019, Undergraduate
Now at Peking University
Nan JIANG
2018, Undergraduate
Chengwei XV
2018, Undergraduate
Yifei YANG
2017, Undergraduate
Youyuan ZHU
2017-2023, Ph.D
Joint student with Prof. Wei Wang
Now at Zhijiang Lab
Hanchen WANG
2016, Undergraduate
Now at Cambridge University
Tao LIU
2016 – 2017, Undergraduate
Now at Princeton University
Ruiheng SONG
2016 – 2018, Undergraduate
Now at Rice University
Yilin LU
2016 – 2018, Undergraduate
Now at Peking University
Yigao YUAN
2016 – 2019, Undergraduate
Now at Rice University
Dongbo ZHAO
2015 – 2020, Postdoctoral researcher
