Detalhe da pesquisa
1.
QM/MM Modeling of Vibrational Polariton Induced Energy Transfer and Chemical Dynamics.
J Am Chem Soc
; 145(1): 377-384, 2023 01 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36574620
2.
Nuclear-Electronic Orbital Quantum Dynamics of Plasmon-Driven H2 Photodissociation.
J Am Chem Soc
; 145(33): 18210-18214, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37555733
3.
First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems.
Phys Rev Lett
; 131(23): 238002, 2023 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38134781
4.
Molecular Polaritonics: Chemical Dynamics Under Strong Light-Matter Coupling.
Annu Rev Phys Chem
; 73: 43-71, 2022 04 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34871038
5.
Electronic Born-Oppenheimer approximation in nuclear-electronic orbital dynamics.
J Chem Phys
; 158(11): 114118, 2023 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36948810
6.
Cavity molecular dynamics simulations of liquid water under vibrational ultrastrong coupling.
Proc Natl Acad Sci U S A
; 117(31): 18324-18331, 2020 08 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32680967
7.
Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi's golden rule rate.
J Chem Phys
; 156(13): 134106, 2022 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35395873
8.
Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption.
J Chem Phys
; 154(9): 094124, 2021 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33685184
9.
Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations*.
Angew Chem Int Ed Engl
; 60(28): 15533-15540, 2021 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33957010
10.
On the origin of ground-state vacuum-field catalysis: Equilibrium consideration.
J Chem Phys
; 152(23): 234107, 2020 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32571066
11.
Ehrenfest+R dynamics. I. A mixed quantum-classical electrodynamics simulation of spontaneous emission.
J Chem Phys
; 150(4): 044102, 2019 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30709254
12.
Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering.
J Chem Phys
; 150(4): 044103, 2019 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30709300
13.
Squeezed Protons and Infrared Plasmonic Resonance Energy Transfer.
J Phys Chem Lett
; 15(3): 751-757, 2024 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38226772
14.
Nuclear-Electronic Orbital Quantum Mechanical/Molecular Mechanical Real-Time Dynamics.
J Phys Chem Lett
; 14(43): 9556-9562, 2023 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-37857272
15.
Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings.
J Chem Theory Comput
; 18(5): 2774-2784, 2022 May 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-35420037
16.
Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumping.
Nat Commun
; 13(1): 4203, 2022 Jul 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35858927
17.
Quantum Simulations of Vibrational Strong Coupling via Path Integrals.
J Phys Chem Lett
; 13(17): 3890-3895, 2022 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35471100
18.
Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light-Matter Interactions: Understanding Energy Conservation.
J Chem Theory Comput
; 15(3): 1957-1973, 2019 Mar 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-30753068
19.
Predictive Semiclassical Model for Coherent and Incoherent Emission in the Strong Field Regime: The Mollow Triplet Revisited.
J Phys Chem Lett
; 10(6): 1331-1336, 2019 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30844289
20.
A Necessary Trade-off for Semiclassical Electrodynamics: Accurate Short-Range Coulomb Interactions versus the Enforcement of Causality?
J Phys Chem Lett
; 9(20): 5955-5961, 2018 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-30277405