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Annual Review of Physical Chemistry|December 6, 2021
Molecular Polaritonics: Chemical Dynamics Under Strong Light-Matter CouplingTao E Li, Bingyu Cui, Joseph E Subotnik, et al.
Journal of Chemical Theory and Computation|February 27, 2026
MaxwellLink: A Unified Framework for Self-Consistent Light-Matter SimulationsXinwei Ji, Andres Felipe Bocanegra Vargas, Gang Meng, et al.
The Journal of Physical Chemistry Letters|April 26, 2022
Quantum Simulations of Vibrational Strong Coupling via Path IntegralsTao E Li, Abraham Nitzan, Sharon Hammes-Schiffer, et al.
The Journal of Chemical Physics|November 19, 2024
Lagrangian formulation of nuclear-electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systemsJianhang Xu, Ruiyi Zhou, Tao E Li, et al.
The Journal of Physical Chemistry Letters|October 3, 2018
A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb Interactions versus the Enforcement of Causality?Tao E Li, Hsing-Ta Chen, Abraham Nitzan, et al.
The Journal of Chemical Physics|February 3, 2019
Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scatteringHsing-Ta Chen, Tao E Li, Maxim Sukharev, et al.
The Journal of Chemical Physics|February 3, 2019
Ehrenfest+R dynamics. I. A mixed quantum-classical electrodynamics simulation of spontaneous emissionHsing-Ta Chen, Tao E Li, Maxim Sukharev, et al.
Physical Review Letters|December 22, 2023
First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous SystemsJianhang Xu, Ruiyi Zhou, Volker Blum, et al.
The Journal of Chemical Physics|July 1, 2025
Magnetic interactions between nanoscale domains in liquidsMohammadhasan Dinpajooh, Giovanna Ricchiuti, Andrew J Ritchhart, et al.
The Journal of Chemical Physics|August 14, 2024
i-PI 3.0: A flexible and efficient framework for advanced atomistic simulationsYair Litman, Venkat Kapil, Yotam M Y Feldman, et al.
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