Skip to content
Work from home
Work from home





@conda-forge @deepmodeling @tongzhugroup @next-theme @chemicaltools
Block or Report

Block or report njzjz

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Jinzhe Zeng

Njzjz's github stats


  • B.S. in Chemistry, East China Normal University, Sep 2015 - Jul 2019
  • PhD in Chemistry, Rutgers University, Aug 2019 - Present

Work Experience

  • Research Volunteer, East China Normal University, $150/month, Sep 2017 - Jul 2019
  • Undergraduate Internship Course for 6 Credits, Shanghai Qiaokun Chemical Technology Co., LTD, $340/month, Sep 2018 - Nov 2018
  • Summer Research Internship, Beijing Institute of Big Data Research, $1000/month, Jun 2019 - Jul 2019
  • Remained Fellow, Rutgers University, $3000/month, Sep 2019 - Aug 2020
  • Graduate Assistant, Rutgers University, $3000/month, Aug 2020 - Present


Develop deep learning potentials for simulations of different applications, including combustion of hydrocarbon fuels, RNA catalysis reactions, drug discovery, and precision medicine.


  • Liqun Cao, Jinzhe Zeng, Mingyuan Xu, Chih-Hao Chin, Tong Zhu*, John ZH Zhang*, Fragment-based Ab Initio Molecular Dynamics Simulation for Combustion, Molecules, 2021, 26 (11), 3120, DOI: 10.3390/molecules26113120.
  • Jinzhe Zeng, Timothy J. Giese, ̧Sölen Ekesan, Darrin M. York*, Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/molecular Mechanical Simulations of Chemical Reactions in Solution, ChemRxiv Preprint, 2021, DOI: 10.26434/chemrxiv.14120447.
  • Jinzhe Zeng, Linfeng Zhang*, Han Wang*, Tong Zhu*, Exploring the Chemical Space of Linear Alkanes Pyrolysis via Deep Potential GENerator, Energy & Fuels, 2021, 35 (1), 762-769, DOI: 10.1021/acs.energyfuels.0c03211.
  • Jinzhe Zeng, Liqun Cao, Mingyuan Xu, Tong Zhu*, John Z. H. Zhang*, Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation, Nature Communications, 2020, 11, 5713, DOI: 10.1038/s41467-020-19497-z.
  • Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang*, Han Wang*, Weinan E*, DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models, Comput. Phys. Commun, 2020, 253, 107206, DOI: 10.1016/j.cpc.2020.107206.
  • Jinzhe Zeng, Liqun Cao, Chih-Hao Chin*, Haisheng Ren, John Z. H. Zhang*, Tong Zhu*, ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations, Phys. Chem. Chem. Phys., 2020, 22 (2), 683–691, DOI: 10.1039/C9CP05091D.
  • Shuaizhen Tian, Jinzhe Zeng, Xiao Liu*, Jianzhong Chen, John ZH Zhang, Tong Zhu*, Understanding the selectivity of inhibitors toward PI4KIIIα and PI4KIIIβ based molecular modeling, Physical Chemistry Chemical Physics, 2019, 21 (39), 22103-22112, DOI: 10.1039/C9CP03598B.
  • Xin-Yue Han, Zi-Han Chen, Jin-Zhe Zeng, Qian-Xi Fan, Zheng-Qi Fang, Guoyue Shi, Min Zhang*, Inorganic-Organic Hybrid Tongue-Mimic for Time-Resolved Luminescent Noninvasive Pattern and Chiral Recognition of Thiols in Biofluids toward Healthcare Monitoring, ACS Applied Materials & Interfaces, 2018, 10 (37), 31725-31734, DOI: 10.1021/acsami.8b13498.


  1. A deep learning package for many-body potential energy representation and molecular dynamics

    C++ 538 191

  2. an automatic reaction network generator for reactive molecular dynamics simulation

    Python 18 11

  3. A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.

    Python 17 10

  4. The deep potential generator

    Python 101 83

  5. NN PES for reactions.


  6. 2018CUMCM-B Archived

    2018 CUMCM (Contemporary Undergraduate Mathematical Contest in Modeling) - Probelm B (Chinese)

    Python 13 2

Contribution activity

August 2021

Created a pull request in deepmodeling/deepmd-kit that received 3 comments

fix 'NoneType' has no len() in auto_sel

The default value of type_map is None, so when you don't set type_map, you'll get this error. deepmd-kit/deepmd/entrypoints/ Line 225 in

+1 −1 3 comments
Opened 12 other pull requests in 10 repositories
2 merged
1 open 1 merged
1 open
1 open
1 merged
1 merged
1 merged
1 merged
1 merged
1 merged
Opened 1 issue in 1 repository
1 open
1 contribution in private repositories Aug 5

Seeing something unexpected? Take a look at the GitHub profile guide.