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The Journal of Chemical Physics|April 9, 2022
Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi's golden rule rateTao E Li, Abraham Nitzan, Joseph E SubotnikJournal of Chemical Theory and Computation|April 14, 2022
Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong CouplingsTao E Li, Zhen Tao, Sharon Hammes-SchifferThe Journal of Physical Chemistry Letters|October 19, 2023
Nuclear-Electronic Orbital Quantum Mechanical/Molecular Mechanical Real-Time DynamicsMathew Chow, Tao E Li, Sharon Hammes-SchifferThe Journal of Chemical Physics|March 9, 2021
Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorptionTao E Li, Abraham Nitzan, Joseph E SubotnikAngewandte Chemie (International Ed. in English)|May 6, 2021
Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations*Tao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Chemical Physics|June 24, 2020
On the origin of ground-state vacuum-field catalysis: Equilibrium considerationTao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Physical Chemistry Letters|January 16, 2024
Squeezed Protons and Infrared Plasmonic Resonance Energy TransferTao E Li, Eno Paenurk, Sharon Hammes-SchifferProceedings of the National Academy of Sciences of the United States of America|July 19, 2020
Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong couplingTao E Li, Joseph E Subotnik, Abraham NitzanJournal of Chemical Theory and Computation|February 13, 2019
Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light-Matter Interactions: Understanding Energy ConservationTao E Li, Hsing-Ta Chen, Joseph E SubotnikJournal of Chemical Theory and Computation|August 18, 2025
Light-Matter Entanglement in Real-Time Nuclear-Electronic Orbital Polariton DynamicsMillan F Welman, Tao E Li, Sharon Hammes-SchifferPageof 3