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Journal of Chemical Theory and Computation|June 24, 2024
Mesoscale Molecular Simulations of Fabry-Pérot Vibrational Strong CouplingTao E LiThe Journal of Chemical Physics|August 13, 2024
Vibrational polaritons with broken in-plane translational symmetryTao E LiThe Journal of Physical Chemistry Letters|May 13, 2025
Selective Excitation of IR-Inactive Modes via Vibrational Polaritons: Insights from Atomistic SimulationsXinwei Ji, Tao E LiJournal of the American Chemical Society|August 9, 2023
Nuclear-Electronic Orbital Quantum Dynamics of Plasmon-Driven H2 PhotodissociationTao E Li, Sharon Hammes-SchifferThe Journal of Chemical Physics|March 22, 2023
Electronic Born-Oppenheimer approximation in nuclear-electronic orbital dynamicsTao E Li, Sharon Hammes-SchifferJournal of the American Chemical Society|December 27, 2022
QM/MM Modeling of Vibrational Polariton Induced Energy Transfer and Chemical DynamicsTao E Li, Sharon Hammes-SchifferThe Journal of Chemical Physics|March 24, 2025
Polariton-induced Purcell effects via a reduced semiclassical electrodynamics approachAndres Felipe Bocanegra Vargas, Tao E LiThe Journal of Chemical Physics|June 17, 2026
Two-dimensional IR-Raman spectroscopy of vibrational polaritons: Role of dipole surfacesXinwei Ji, Tomislav Begušić, Tao E LiNature Communications|July 20, 2022
Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumpingTao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Chemical Physics|April 8, 2025
Energy conservation in real-time nuclear-electronic orbital Ehrenfest dynamicsTao E Li, Xiaosong Li, Sharon Hammes-SchifferPageof 3