Portrait
Tenghui Li
Rutgers University-New Brunswick
Department of Chemistry and Chemical Biology
About Tenghui
Tenghui's research focuses on developing efficient and accurate computational methods for modeling strongly correlated systems and nonadiabatic processes in extended systems. He received his B.S. in 2021 from Zhejiang University under the supervision of Prof. Linjun Wang, where he worked on time-dependent variational approaches based on surface-hopping trajectories. He earned his Ph.D. in 2026 from Zhejiang University, also under the supervision of Prof. Linjun Wang. His doctoral research focuses on computational spectroscopy, machine-learning electronic Hamiltonians, and nonadiabatic dynamics in extended systems, particularly semiconductor quantum dots. He is currently a postdoctoral researcher in the Sun lab at Rutgers University-New Brunswick, where he develpes computational approaches for strongly correlated systems, while exploring how artifical intelligence and machine learning can accezlerate scientific discovery.
Education
  • Zhejiang University
    Zhejiang University
    Ph.D. in Chemistry
    Sep. 2021 - Jun. 2026
  • Zhejiang University
    Zhejiang University
    B.S. in Chemistry
    Sep. 2017 - Jun. 2021
Experience
  • Rutgers University-New Brunswick
    Rutgers University-New Brunswick
    Postdoctoral Researcher
    July. 2026 - now
Honors & Awards
  • Outstanding graduates of Zhejiang Province
    2021
News
2026
Tenghui will present a poster at the 35th CCS Congress on the phonon bottleneck in hot electron relaxation.
Apr 12
2025
Tenghui will present a talk at the ACS Spring 2025 meeting on the oxidative doping of quantum dots.
Mar 20
2024
Tenghui will present a poster at the ISTCP 2024 Congress on the patching Hamiltonian method.
Oct 14
Tenghui will present a poster at the 34th CCS Congress on the oxidative doping of quantum dots.
Jun 20
2022
Tenghui was featured in a report by CCTV News . Read more
Sep 01
Selected Publications (view all )
Site-Specific Ligand Exchange on Colloidal Semiconductor Nanocrystals: On-Edge Exchange versus On-Facet Position Swapping

Xudong Qian*, Tenghui Li*, Jie Zhu*, Xionglin Zhou, Zihao Xu, Xueqian Kong, Jiongzhao Li#, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

ACS nano 2026, 20, 12, 10246–10261

Site-Specific Ligand Exchange on Colloidal Semiconductor Nanocrystals: On-Edge Exchange versus On-Facet Position Swapping

Xudong Qian*, Tenghui Li*, Jie Zhu*, Xionglin Zhou, Zihao Xu, Xueqian Kong, Jiongzhao Li#, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

ACS nano 2026, 20, 12, 10246–10261

Phonon Bottleneck in the Hot Electron Relaxation of n-Doped Quantum Dots: A Large-Scale Nonadiabatic Dynamics Perspective

Tenghui Li, Jiawei Dong, Zihan Liu, Xiaogang Peng, Linjun Wang# (# corresponding author)

ACS nano 2026, 20, 7, 5662–5674

Phonon Bottleneck in the Hot Electron Relaxation of n-Doped Quantum Dots: A Large-Scale Nonadiabatic Dynamics Perspective

Tenghui Li, Jiawei Dong, Zihan Liu, Xiaogang Peng, Linjun Wang# (# corresponding author)

ACS nano 2026, 20, 7, 5662–5674

Reversible Facet Reconstruction of CdSe/CdS Core/Shell Nanocrystals by Facet-Ligand Pairing

Hairui Lei*, Tenghui Li*, Jiongzhao Li, Jie Zhu, Haibing Zhang, Haiyan Qin, Xueqian Kong, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

Journal of the American Chemical Society (J. Am. Chem. Soc.) 2023, 145, 12, 6798–6810

Reversible Facet Reconstruction of CdSe/CdS Core/Shell Nanocrystals by Facet-Ligand Pairing

Hairui Lei*, Tenghui Li*, Jiongzhao Li, Jie Zhu, Haibing Zhang, Haiyan Qin, Xueqian Kong, Linjun Wang#, Xiaogang Peng# (* equal contribution, # corresponding author)

Journal of the American Chemical Society (J. Am. Chem. Soc.) 2023, 145, 12, 6798–6810

All publications