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The Journal of Chemical Physics|December 11, 2013
Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherenceJoseph E Subotnik, Wenjun Ouyang, Brian R LandryThe Journal of Chemical Physics|April 9, 2022
Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi's golden rule rateTao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Chemical Physics|October 23, 2021
On the inclusion of one double within CIS and TDDFTVishikh Athavale, Hung-Hsuan Teh, Joseph E SubotnikThe Journal of Chemical Physics|March 9, 2021
Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorptionTao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Chemical Physics|May 4, 2021
A grid-free approach for simulating sweep and cyclic voltammetryAlec J Coffman, Jianfeng Lu, Joseph E SubotnikAngewandte Chemie (International Ed. in English)|May 6, 2021
Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations*Tao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Chemical Physics|June 24, 2020
On the origin of ground-state vacuum-field catalysis: Equilibrium considerationTao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Chemical Physics|January 22, 2008
The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfacesJoseph E Subotnik, Alex Sodt, Martin Head-GordonThe Journal of Chemical Physics|August 6, 2020
On the proper derivation of the Floquet-based quantum classical Liouville equation and surface hopping describing a molecule or material subject to an external fieldHsing-Ta Chen, Zeyu Zhou, Joseph E SubotnikProceedings of the National Academy of Sciences of the United States of America|July 19, 2020
Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong couplingTao E Li, Joseph E Subotnik, Abraham NitzanPageof 22