1-12 of 12
Tao E. Li
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Magnetic interactions between nanoscale domains in liquids

Open Access
Mohammadhasan Dinpajooh, Giovanna Ricchiuti, Andrew J. Ritchhart, Tao E. Li, Elias Nakouzi, Sebastian T. Mergelsberg, Venkateshkumar Prabhakaran, Jaehun Chun, Maria L. Sushko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 014502 (2025)
https://doi.org/10.1063/5.0260005
Published: July 2025
View articletitled, Magnetic interactions between nanoscale domains in liquids
Open the PDF for Magnetic interactions between nanoscale domains in liquids in another window
Journal Articles

Energy conservation in real-time nuclear–electronic orbital Ehrenfest dynamics

Available to Purchase
Tao E. Li, Xiaosong Li, Sharon Hammes-Schiffer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144106 (2025)
https://doi.org/10.1063/5.0255984
Published: April 2025
View articletitled, Energy conservation in real-time nuclear–electronic orbital Ehrenfest dynamics
Open the PDF for Energy conservation in real-time nuclear–electronic orbital Ehrenfest dynamics in another window
Journal Articles

Polariton-induced Purcell effects via a reduced semiclassical electrodynamics approach

Available to Purchase
Andres Felipe Bocanegra Vargas, Tao E. Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 124101 (2025)
https://doi.org/10.1063/5.0251767
Published: March 2025
View articletitled, Polariton-induced Purcell effects via a reduced semiclassical electrodynamics approach
Open the PDF for Polariton-induced Purcell effects via a reduced semiclassical electrodynamics approach in another window
Journal Articles

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

Available to Purchase
Jianhang Xu, Ruiyi Zhou, Tao E. Li, Sharon Hammes-Schiffer, Yosuke Kanai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194109 (2024)
https://doi.org/10.1063/5.0230570
Published: November 2024
View articletitled, Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems
Open the PDF for Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems in another window
Journal Articles

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

FeaturedScilightOpen Access
Yair Litman, Venkat Kapil, Yotam M. Y. Feldman, Davide Tisi, Tomislav Begušić, Karen Fidanyan, Guillaume Fraux, Jacob Higer, Matthias Kellner, Tao E. Li, Eszter S. Pós, Elia Stocco, George Trenins, Barak Hirshberg, Mariana Rossi, Michele Ceriotti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 062504 (2024)
https://doi.org/10.1063/5.0215869
Published: August 2024
View articletitled, i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations
Open the PDF for i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations in another window
Journal Articles

Vibrational polaritons with broken in-plane translational symmetry

Available to Purchase
Tao E. Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064308 (2024)
https://doi.org/10.1063/5.0209212
Published: August 2024
View articletitled, Vibrational polaritons with broken in-plane translational symmetry
Open the PDF for Vibrational polaritons with broken in-plane translational symmetry in another window
Journal Articles

Electronic Born–Oppenheimer approximation in nuclear-electronic orbital dynamics

Available to Purchase
Tao E. Li, Sharon Hammes-Schiffer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 114118 (2023)
https://doi.org/10.1063/5.0142007
Published: March 2023
View articletitled, Electronic Born–Oppenheimer approximation in nuclear-electronic orbital dynamics
Open the PDF for Electronic Born–Oppenheimer approximation in nuclear-electronic orbital dynamics in another window
Includes: Supplementary data
Journal Articles

Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate

Available to Purchase
Tao E. Li, Abraham Nitzan, Joseph E. Subotnik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 134106 (2022)
https://doi.org/10.1063/5.0079784
Published: April 2022
View articletitled, Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate
Open the PDF for Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate in another window
Journal Articles

Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption

Available to Purchase
Tao E. Li, Abraham Nitzan, Joseph E. Subotnik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 094124 (2021)
https://doi.org/10.1063/5.0037623
Published: March 2021
View articletitled, Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption
Open the PDF for Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption in another window
Journal Articles

On the origin of ground-state vacuum-field catalysis: Equilibrium consideration

Available to Purchase
Tao E. Li, Abraham Nitzan, Joseph E. Subotnik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 234107 (2020)
https://doi.org/10.1063/5.0006472
Published: June 2020
View articletitled, On the origin of ground-state vacuum-field catalysis: Equilibrium consideration
Open the PDF for On the origin of ground-state vacuum-field catalysis: Equilibrium consideration in another window
Journal Articles

Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering

Free
Hsing-Ta Chen, Tao E. Li, Maxim Sukharev, Abraham Nitzan, Joseph E. Subotnik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 044103 (2019)
https://doi.org/10.1063/1.5057366
Published: January 2019
View articletitled, Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering
Open the PDF for Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering in another window
Journal Articles

Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission

Free
Hsing-Ta Chen, Tao E. Li, Maxim Sukharev, Abraham Nitzan, Joseph E. Subotnik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 044102 (2019)
https://doi.org/10.1063/1.5057365
Published: January 2019
View articletitled, Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission
Open the PDF for Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission in another window