Duration: Aug 2025 – present
Supervisor: Prof. Xinglong Zhang
Institution: The Chinese University of Hong Kong, China
- Computational studies on complex biochemical systems
- Contributed to open-source software CHEMSMART for automating computational chemistry workflows, including the design and implementation of modules for high-throughput calculations and data management.
Published: January 28, 2025
Duration: Oct 2024 – Apr 2025
Supervisor: Prof. Xinglong Zhang
Institution: The Chinese University of Hong Kong, China
- Assisted in the revision of a research article on the isomerization processes involved in nickel-catalyzed copolymerization of ethylene with polar monomers.
- Contributed to refining the study’s interpretation of DFT results, focusing on the mechanism and influence of auxiliary ligands on catalyst performance.
Duration: Feb 2023 – Jun 2024
Promotor: Prof. Jerome Loreau
Institution: KU Leuven, Belgium
- Employed the discretization method of wavefunction and mathematical transformation to code for a program to solve the Schr¨ odinger equation for the bending mode of triatomic molecules based on the Hamiltonian proposed by Carter and Handy.
Duration: Dec 2021 – Jun 2022
Supervisor: Prof. Feng Zheng
Institution: Tongji University, China
- Adopted machine learning method to indicate the significance of structures for rapid prediction of glass-transition temperature of polyimides.
- Adapted 2D structural formulas into SMILES format and used online open libraries including RDkit to calculate the values of molecular descriptors.
- Explored the applications of linear regression, random forest and artificial neural network in QSAR modelling.
Duration: Mar 2021 – Mar 2022
Institution: Tongji University, China
- Chinese National College Student Innovation and Entrepreneurship Training Project.
- Worked in a five-person team to program a Chemical Mapping App which can convert handwriting chemical formula into codes.
Duration: Mar 2020 – Sept 2021
Institution: Tongji University, China
- National College Students Chemical Experiment Innovation Design Competition project.
- Synthesized a polymide ionogel maintaining both excellent mechanical and magnetic properties.
- Proposed a new method to embed nanoparticle ferroferric oxide into a new polymer framework. Attempted to show the inner H-bond via fluorescent protein.
- Was awarded the First Prize of the 2nd National College Students Chemical Experiment Innovation Design Competition in both eastern china region and national finals.
Duration: Mar 2020 – Mar 2021
Institution: Tongji University, China
- College Students Innovation Training Program
- Worked in a 2-person team to design a low-cost, high selectivity method to synthesize Virginamycin via Wittig Reaction.
Published in 2025
Recommended citation: Tan, J.; Liu, J.; Zhang, X. Unraveling the Mechanism and Influence of Auxiliary Ligands on the Isomerization of Neutral [P, O]-Chelated Nickel Complexes for Olefin Polymerization. J. Org. Chem. 2025, 90 (5), 2052–2061.
Download Paper
Published in 2026
| equal contribution† | undergraduate§ | master∇ | computational author# | corresponding author* |
Recommended citation: Sheng, J. ;† Koh, K. K. Y.;† Li, Z.;†# Liu, J.;†# Shi, Q.; Zheng, Y.; Zhang, X.;*# Zhu, R.* J. Am. Chem. Soc., 2026, 148, 1, 1164–1173.
Download Paper
Published:
This is a description of your talk, which is a markdown file that can be all markdown-ified like any other post. Yay markdown!
Published:
This is a description of your conference proceedings talk, note the different field in type. You can put anything in this field.
Undergraduate course, University 1, Department, 2014
This is a description of a teaching experience. You can use markdown like any other post.
Workshop, University 1, Department, 2015
This is a description of a teaching experience. You can use markdown like any other post.