We numerically isolate the limits of validity of the Landauer approximation to describe charge transport along molecular junctions in condensed phase environments. To do so, we …
Protecting quantum coherences in matter from the detrimental effects introduced by its environment is essential to employ molecules and materials in quantum technologies and …
CW Kim, I Franco - The Journal of Chemical Physics, 2024 - pubs.aip.org
We present a general and practical theoretical framework to investigate how energy is dissipated in open quantum system dynamics. This is performed by quantifying the …
CW Kim, I Franco - The Journal of Chemical Physics, 2024 - pubs.aip.org
In the previous paper [CW Kim and I. Franco, J. Chem. Phys. 160, 214111-1–214111-13 (2024)], we developed a theory called MQME-D, which allows us to decompose the overall …
JA Cina - The Journal of Chemical Physics, 2023 - pubs.aip.org
We detail several interesting features in the dynamics of an equilaterally shaped electronic excitation-transfer (EET) trimer with distance-dependent intermonomer excitation-transfer …
Z Hu, D Brian, X Sun - The Journal of Chemical Physics, 2021 - pubs.aip.org
Model Hamiltonians constructed from quantum chemistry calculations and molecular dynamics simulations are widely used for simulating nonadiabatic dynamics in the …
The increased decay rate of a two-level system weakly coupled to an optical cavity, known as the Purcell effect, is a cornerstone of cavity QED. However, the effect of cavity coupling is …
We present a simple and effective approach for extracting the bath information in open- quantum-system dynamics under the framework of the numerically exact hierarchical …
X Chen, I Franco - The Journal of Chemical Physics, 2024 - pubs.aip.org
We develop a quasiparticle approach to capture the dynamics of open quantum systems coupled to bosonic thermal baths of arbitrary complexity based on the Hierarchical …