Three states involving vibronic resonance is a key to enhancing reverse intersystem crossing dynamics of an organoboron-based ultrapure blue emitter

I Kim, KH Cho, SO Jeon, WJ Son, D Kim, YM Rhee… - Jacs Au, 2021 - ACS Publications
The recently developed narrow-band blue-emitting organoboron chromophores based on
the multiple-resonance (MR) effect have now become one of the most important components …

Explaining the efficiency of photosynthesis: Quantum uncertainty or classical vibrations?

JE Runeson, JE Lawrence, JR Mannouch… - The Journal of …, 2022 - ACS Publications
Photosynthetic organisms are known to use a mechanism of vibrationally assisted exciton
energy transfer to efficiently harvest energy from light. The importance of quantum effects in …

Computational elucidations on the role of vibrations in energy transfer processes of photosynthetic complexes

KH Cho, YM Rhee - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Coupling between pigment excitations and nuclear movements in photosynthetic complexes
is known to modulate the excitation energy transfer (EET) efficiencies. Toward providing …

[HTML][HTML] The role of resonant nuclear modes in vibrationally assisted energy transport: The LHCII complex

P Bhattacharyya, GR Fleming - The Journal of chemical physics, 2020 - pubs.aip.org
In this paper, we discuss the explicit role of resonant nuclear/vibrational modes in mediating
energy transport among chlorophylls in the Light-harvesting Complex II (LHCII), the major …

Two-dimensional electronic spectroscopy of bacteriochlorophyll a with synchronized dual mode-locked lasers

JW Kim, J Jeon, TH Yoon, M Cho - Nature communications, 2020 - nature.com
How atoms and electrons in a molecule move during a chemical reaction and how rapidly
energy is transferred to or from the surroundings can be studied with flashes of laser light …

Benchmarking the surface hopping method to include nuclear quantum effects

A Sindhu, A Jain - Journal of Chemical Theory and Computation, 2021 - ACS Publications
We have benchmarked the surface hopping method to capture nuclear quantum effects in
the spin-Boson model in the deep tunneling regime. The thermal populations and the rate …

A Comprehensive Approach to Exciton Delocalization and Energy Transfer

D Giavazzi, S Saseendran, F Di Maiolo… - Journal of Chemical …, 2022 - ACS Publications
Electrostatic intermolecular interactions lie at the heart of both the Förster model for
resonance energy transfer (RET) and the exciton model for energy delocalization. In the …

[PDF][PDF] Spin-mapping approaches for mixed quantum-classical dynamics

JE Runeson - 2022 - research-collection.ethz.ch
This thesis addresses the problem of combining quantum and classical dynamics in
numerical simulations of a wide range of physical applications, including photochemistry …

[HTML][HTML] Theory of dissipation pathways in open quantum systems

CW Kim, I Franco - The Journal of Chemical Physics, 2021 - pubs.aip.org
We introduce a simple and effective method to decompose the energy dissipation in the
dynamics of open quantum systems into contributions due to individual bath components …

Cooperation between excitation energy transfer and antisynchronously coupled vibrations

KH Cho, YM Rhee - The Journal of Physical Chemistry B, 2021 - ACS Publications
The effects of the environment in energy transfer systems have been continuously studied
for decades. Here, we investigate how the energy transfer and the emergence of vibrational …