I am currently a postdoctoral fellow in Prof. Joonho Lee’s group at Harvard University (2023—Present). I received my Ph.D. in Chemistry from Tsinghua University (2018—2023) under the supervision of Prof. Zhigang Shuai, where my dissertation “Response Theory for the Matrix Product States in Frequency Space“ was recognized with the Outstanding Doctoral Thesis Award.
My research focuses on the electronic structure and quantum dynamics of correlated materials. I develop and apply cutting-edge techniques like tensor networks and auxiliary-field quantum Monte Carlo, while also exploring quantum computing algorithms to push the boundaries of quantum simulations.
Email: tongjiang@g.harvard.edu | tj.theochem@gmail.com
Link: Google Scholar | ResearchGate | Github
Publications:
- Why sulfur is important in lincosamide antibiotics.
K.J.Y. Wu, E.V. Aleksandrova, P.J. Robinson, A.E. Benedetto, M. Yu, B.I.C. Tresco, D.N.Y. See, T. Jiang, A. Ramkissoon, C.F. Dunand, M.S. Svetlov, J. Lee, Y.S. Polikanov, A.G. Myers
Chem, 102480 (2025) - Excited State Structure and Decay Rates for Aggregates.
Z. Shuai, Q. Sun, J. Ren, T. Jiang, W. Li
Aggregate, 0:e70013 (2025) - Humanity's Last Exam.
arXiv:2501.14249 - Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions.
T. Jiang, B. O'Gorman, A. Mahajan, J. Lee
Phys. Rev. Research, 7, 013038 (2025) | arXiv:2405.05440 - TD-DMRG Study of Exciton Dynamics with both Thermal and Static Disorders for Fenna-Matthews-Olson Complex.
Z. Sheng, T. Jiang, W. Li, Z. Shuai
J. Chem. Theory Comput., 20, 15, 6470-6484 (2024) - Walking through Hilbert Space with Quantum Computers.
T. Jiang, J. Zhang, M. Baumgarten, M.-F. Chen, H.Q. Dinh, A. Ganeshram, N. Maskara, A. Ni, J. Lee
arXiv:2407.11672 - Improved Modularity and New Features in ipie: Toward Even Larger AFQMC Calculations on CPUs and GPUs at Zero and Finite Temperatures.
T. Jiang, M. Baumgarten, P.-F. Loos, A. Mahajan, A. Scemama, S.F. Ung, J. Zhang, F.D. Malone, J. Lee
J. Chem. Phys. 161, 162502 (2024) | arXiv:2406.16238 - Automatic Screen-out of Ir(III) Complex Emitters by Combined Machine Learning and Computational Analysis.
Z. Cheng, J. Liu, T. Jiang, M. Chen, F. Dai, Z. Gao, G. Ke, Z. Zhao, Q. Ou
Adv. Opt. Mat, 11(18), 23011093 (2023) | chemrxiv - Unified Definition of Exciton Coherence Length for Exciton-Phonon Coupled Molecular Aggregates.
T. Jiang, J. Ren, Z. Shuai
J. Phys. Chem. Lett., 14, 4541–4547 (2023) - Influence of Intermolecular Packing on Light Emitting Efficiency and Carrier‑Mobility of Organic Semiconductors: Theoretical Descriptor for Molecular Design.
Q. Sun, T. Jiang, Q. Ou, Q. Peng, Z. Shuai
Adv. Opt. Mat., 11(5), 2202621 (2022) - Time-Dependent Density Matrix Renormalization Group Method for Quantum Dynamics in Complex Systems.
J. Ren, W. Li, T. Jiang, Y. Wang, Z. Shuai
WIREs Comput Mol Sci., e1614 (2022) - Intermolecular Charge-Transfer-Induced Strong Optical Emission from Herringbone H‑Aggregates.
Q. Sun, J. Ren, T. Jiang, Q. Peng, Q. Ou, Z. Shuai
Nano Lett., 21, 5394−5400 (2021) - Time-Dependent Density Matrix Renormalization Group Coupled with n-Mode Representation Potentials for the Excited State Radiationless Decay Rate: Formalism and Application to Azulene.
J. Ren, Y. Wang, W. Li, T. Jiang, Z. Shuai
Chin. J. Chem. Phys., 34(5), 565-582 (2021) | chemrxiv - Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems.
T. Jiang, J. Ren, Z. Shuai
J. Phys. Chem. Lett., 12, 9344-9352 (2021) | chemrxiv - Frequency Domain Density Matrix Renormalization Group.
T. Jiang, J. Ren, Z. Shuai
Chem. J. Chin. Univ, 41, 2610~2628 (2020) - A General Automatic Method for Optimal Construction of Matrix Product Operators Using Bipartite Graph Theory.
J. Ren, W. Li, T. Jiang, and Z. Shuai
J. Chem. Phys., 153, 084118 (2020) | arXiv:2006.02056 - Finite Temperature Dynamical Density Matrix Renormalization Group for Spectroscopy in Frequency Domain.
T. Jiang, W. Li, J. Ren, and Z. Shuai
J. Phys. Chem. Lett., 11, 3761−3768 (2020)