Mini-Biography
Xinwei Ji (纪鑫炜) is a third-year Ph.D. student in the Department of Physics and Astronomy at the University of Delaware, specializing in chemical physics. He is currently working on his doctoral research under the supervision of Tao E. Li.
His research interests lie at the intersection of light-matter interaction, electronic structure theory, molecular simulation, and AI-enhanced scientific research. He develops and applies open-source simulation tools for self-consistent light-matter dynamics.
Before starting his Ph.D., Xinwei received his B.S. in Chemistry from Xiamen University, where he built a background in quantum chemistry. He is happy to discuss research ideas and potential collaboration opportunities. If you want to join us, also visit our group website at TEL Research Group website.
Outside the lab, he enjoys running and aims to maintain a semi-professional level of training.
Experience
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Research Assistant
University of Delaware
Advisor: Prof. Tao E. Li
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Research Assistant
University of Oklahoma
Advisor: Prof. Yihan Shao
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Teaching Assistant
Xiamen University
- Teaching Assistant of Chemical Theory I, Mathematics in Natural Sciences I&II
- Assistant lecturer of Fujian provincial team of the 36th Chinese Chemistry Olympiad
Education
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Graduate Student in Physics
University of Delaware
Physics
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B.S. in Chemistry
Xiamen University
Chemistry
Publications
- 1
Nonlinear Freezing of Vibrational Polariton Transport via Mesoscale Simulations
Xinwei Ji and Tao E. Li
Nano Lett. 2026 , 26 (38) , 13012–13018. - 2
Two-Dimensional IR–Raman Spectroscopy of Vibrational Polaritons: Role of Dipole Surfaces
Xinwei Ji, Tomislav Begušić, and Tao E. Li
J. Chem. Phys. 2026 , 164 (23) , 234116. - 3
FermiLink: A Unified Agent Framework for Multidomain Autonomous Scientific Simulations
Gang Meng, Andres Felipe Bocanegra Vargas, Xinwei Ji, , and Tao E. Li
arXiv 2026 , arXiv:2604.03460. - 4
MaxwellLink: A Unified Framework for Self-Consistent Light–Matter Simulations
Xinwei Ji, Andres Felipe Bocanegra Vargas, Gang Meng, and Tao E. Li
J. Chem. Theory Comput. 2026 , 22 (6) , 2725–2738. - 5
Selective Excitation of IR-Inactive Modes via Vibrational Polaritons: Insights from Atomistic Simulations
Xinwei Ji and Tao E. Li
J. Phys. Chem. Lett. 2025 , 16 (20) , 5034–5042. - 6
On the Entanglement of Chromophore and Solvent Orbitals
Xinwei Ji, Zheng Pei, Kim Ngan Huynh, , and Yihan Shao
J. Chem. Phys. 2025 , 162 (6) , 064107. - 7
Evaluating the Transition State Stabilization/Destabilization Effects of the Electric Fields from Scaffold Residues by a QM/MM Approach
Shengheng Yan, Xinwei Ji, Wei Peng, and Binju Wang
J. Phys. Chem. B 2023 , 127 (19) , 4245–4253.