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Tao E. Li
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On the origin of ground-state vacuum-field catalysis: Equilibrium consideration
TE Li, A Nitzan, JE Subotnik
The Journal of chemical physics 152 (23), 234107, 2020
1252020
Molecular polaritonics: chemical dynamics under strong light-matter coupling
TE Li, B Cui, JE Subotnik, A Nitzan
Annual Review of Physical Chemistry 73 (1), 43-71, 2022
1222022
Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong coupling
TE Li, JE Subotnik, A Nitzan
Proceedings of the National Academy of Sciences 117 (31), 18324-18331, 2020
1042020
Collective vibrational strong coupling effects on molecular vibrational relaxation and energy transfer: Numerical insights via cavity molecular dynamics simulations
TE Li, A Nitzan, JE Subotnik
Angewandte Chemie 133 (28), 15661-15668, 2021
812021
Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption
TE Li, A Nitzan, JE Subotnik
The Journal of Chemical Physics 154 (9), 2021
532021
Quasiclassical modeling of cavity quantum electrodynamics
TE Li, HT Chen, A Nitzan, JE Subotnik
Physical Review A 101 (3), 033831, 2020
392020
Ehrenfest+ R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission
HT Chen, TE Li, M Sukharev, A Nitzan, JE Subotnik
The Journal of chemical physics 150 (4), 2019
362019
Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy
TE Li, A Nitzan, M Sukharev, T Martinez, HT Chen, JE Subotnik
Physical Review A 97 (3), 032105, 2018
352018
Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping
TE Li, A Nitzan, JE Subotnik
Nature Communications 13, 4203, 2022
292022
Semiclassical real-time nuclear-electronic orbital dynamics for molecular polaritons: Unified theory of electronic and vibrational strong couplings
TE Li, Z Tao, S Hammes-Schiffer
Journal of Chemical Theory and Computation 18 (5), 2774-2784, 2022
212022
Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate
TE Li, A Nitzan, JE Subotnik
The Journal of Chemical Physics 156 (13), 2022
212022
Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light–Matter Interactions: Understanding Energy Conservation
TE Li, HT Chen, JE Subotnik
Journal of Chemical Theory and Computation 15 (3), 1957-1973, 2019
202019
Quantum simulations of vibrational strong coupling via path integrals
TE Li, A Nitzan, S Hammes-Schiffer, JE Subotnik
The Journal of Physical Chemistry Letters 13 (17), 3890-3895, 2022
162022
Ehrenfest+ R dynamics. II. A semiclassical QED framework for Raman scattering
HT Chen, TE Li, M Sukharev, A Nitzan, JE Subotnik
The Journal of Chemical Physics 150 (4), 2019
162019
QM/MM Modeling of Vibrational Polariton Induced Energy Transfer and Chemical Dynamics
TE Li, S Hammes-Schiffer
Journal of the American Chemical Society 145 (1), 377-384, 2023
142023
Predictive semiclassical model for coherent and incoherent emission in the strong field regime: The mollow triplet revisited
HT Chen, TE Li, A Nitzan, JE Subotnik
The Journal of Physical Chemistry Letters 10 (6), 1331-1336, 2019
112019
A necessary trade-off for semiclassical electrodynamics: accurate short-range Coulomb interactions versus the enforcement of causality?
TE Li, HT Chen, A Nitzan, M Sukharev, JE Subotnik
The Journal of Physical Chemistry Letters 9 (20), 5955-5961, 2018
102018
Understanding detailed balance for an electron-radiation system through mixed quantum-classical electrodynamics
HT Chen, TE Li, A Nitzan, JE Subotnik
Physical Review A 100 (1), 010101, 2019
82019
Electronic Born-Oppenheimer Approximation in Nuclear-Electronic Orbital Dynamics
TE Li, S Hammes-Schiffer
The Journal of Chemical Physics 158 (11), 114118, 2023
62023
First-principles approach for coupled quantum dynamics of electrons and protons in heterogeneous systems
J Xu, R Zhou, V Blum, TE Li, S Hammes-Schiffer, Y Kanai
Physical Review Letters 131 (23), 238002, 2023
42023
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Articles 1–20