I am currently a postdoctoral fellow in the group led by Joonho Lee at Harvard University. Prior to this, I completed my Ph.D. thesis “Response Theory for the Matrix Product States in Frequency Space” under the supervision of Zhigang Shuai at Tsinghua University from 2018 to 2023.

Email: tongjiang@g.harvard.edu or tj.theochem@gmail.com

Link: Google Scholar | Github


My research primarily involves developing theoretical and computational algorithms to study the quantum dynamics of electron-phonon systems and the electronic structure of strongly correlated systems. I am interested in tensor network techiniques and auxiliary-field quantum Monte Carlo methods.


  • Tong Jiang, Jiajun Ren, Zhigang Shuai*, Unified Definition of Exciton Coherence Length for Exciton-Phonon Coupled Molecular Aggregates, J. Phys. Chem. Lett., 2023, 14, 4541–4547. doi
  • Tong Jiang, Jiajun Ren*, Zhigang Shuai*, Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems. J. Phys. Chem. Lett., 2021, 12, 9344-9352. doi, ChemRxiv
  • Tong Jiang, Weitang Li, Jiajun Ren*, and Zhigang Shuai*, Finite Temperature Dynamical Density Matrix Renormalization Group for Spectroscopy in Frequency Domain. J. Phys. Chem. Lett., 2020, 11, 3761−3768. doi
  • Tong Jiang, Jiajun Ren, Zhigang Shuai*, Frequency Domain Density Matrix Renormalization Group Chem. J. Chin. Univ, 2020, 41, 2610~2628. doi
  • Chap. 7, Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry, Elsevier: Amsterdam, 2022.
  • Zheng Cheng, Jiapeng Liu, Tong Jiang, Mohan Chen, Fuzhi Dai, Zhifeng Gao, Guolin Ke, Zifeng Zhao, Qi Ou, Automatic Screen-out of Ir(III) Complex Emitters by Combined Machine Learning and Computational Analysis. Adv. Opt. Mat., 2023, 11(18), 23011093. ChemRxiv doi
  • Qi Sun, Tong Jiang, Qi Ou, Qian Peng, and Zhigang Shuai*. Influence of Intermolecular Packing on Light Emitting Efficiency and Carrier‐Mobility of Organic Semiconductors: Theoretical Descriptor for Molecular Design. Adv. Opt. Mat., 2022, 2202621. doi
  • Jiajun Ren, Weitang Li, Tong Jiang, Yuanheng Wang, Zhigang Shuai, Time-dependent density matrix renormalization group method for quantum dynamics in complex systems. WIREs Comput Mol Sci., 2022, e1614. doi
  • Jiajun Ren, Yuanheng Wang, Weitang Li, Tong Jiang, Zhigang Shuai*, Time-Dependent Density Matrix Renormalization Group Coupled with n-Mode Representation Potentials for the Excited State Radiationless Decay Rate: Formalism and Application to Azulene. Chin. J. Chem. Phys., 2021, 34(5), 565-582. doi, ChemRxiv
  • Qi Sun, Jiajun Ren, Tong Jiang, Qian Peng, Qi Ou* and Zhigang Shuai*, Intermolecular Charge-Transfer-Induced Strong Optical Emission from Herringbone H‑Aggregates. Nano Lett., 2021, 21, 5394−5400. doi
  • Jiajun Ren*, Weitang Li, Tong Jiang, and Zhigang Shuai, A general automatic method for optimal construction of matrix product operators using bipartite graph theory. J. Chem. Phys., 2020, 153, 084118. doi, arXiv


  • Swimming, Fencing, Running, Badminton, Tennis, Basketball

hope is a good thing, maybe the best of things.