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 | 125 | 2020 |
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 | 120 | 2022 |
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 | 104 | 2020 |
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 | 81 | 2021 |
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 | 53 | 2021 |
Quasiclassical modeling of cavity quantum electrodynamics TE Li, HT Chen, A Nitzan, JE Subotnik Physical Review A 101 (3), 033831, 2020 | 39 | 2020 |
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 | 36 | 2019 |
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 | 35 | 2018 |
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 | 29 | 2022 |
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 | 21 | 2022 |
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 | 21 | 2022 |
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 | 20 | 2019 |
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 | 16 | 2022 |
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 | 16 | 2019 |
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 | 14 | 2023 |
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 | 11 | 2019 |
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 | 10 | 2018 |
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 | 8 | 2019 |
Electronic Born-Oppenheimer Approximation in Nuclear-Electronic Orbital Dynamics TE Li, S Hammes-Schiffer The Journal of Chemical Physics 158 (11), 114118, 2023 | 6 | 2023 |
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 | 4 | 2023 |