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.

My research focuses on the development of theoretical and computational methods to explore the quantum dynamics and electronic structure of correlated molecular systems. I specialize in tensor network techniques and auxiliary-field quantum Monte Carlo methods.

Email: tongjiang@g.harvard.edu

Link: Google Scholar | Github


  1. Tong Jiang, Bryan O’Gorman, Ankit Mahajan, Joonho Lee*. Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions. arXiv:2405.05440, 2024.
  2. 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
  3. 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
  4. 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
  5. 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
  6. Chap. 7, Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry, Elsevier: Amsterdam, 2022.
  7. 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
  8. 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
  9. 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
  10. 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
  11. Tong Jiang, Jiajun Ren, Zhigang Shuai*, Frequency Domain Density Matrix Renormalization Group Chem. J. Chin. Univ, 2020, 41, 2610~2628. doi
  12. 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