Dynamics of excitons in conjugated molecules and organic semiconductor systems

OP Dimitriev - Chemical Reviews, 2022 - ACS Publications
The exciton, an excited electron–hole pair bound by Coulomb attraction, plays a key role in
photophysics of organic molecules and drives practically important phenomena such as …

[HTML][HTML] Advances and challenges for experiment and theory for multi-electron multi-proton transfer at electrified solid–liquid interfaces

K Sakaushi, T Kumeda, S Hammes-Schiffer… - Physical Chemistry …, 2020 - pubs.rsc.org
Multi-electron, multi-proton transfer is important in a wide spectrum of processes spanning
biological, chemical and physical systems. These reactions have attracted significant …

[HTML][HTML] Exciton dynamics from the mapping approach to surface hopping: comparison with Förster and Redfield theories

JE Runeson, TP Fay, DE Manolopoulos - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
We compare the recently introduced multi-state mapping approach to surface hopping
(MASH) with the Förster and Redfield theories of excitation energy transfer. Whereas Förster …

Quantum electrocatalysts: theoretical picture, electrochemical kinetic isotope effect analysis, and conjecture to understand microscopic mechanisms

K Sakaushi - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The science of electrode processes is attracting enormous interest. Advancing their
principles and elucidating the inherent microscopic mechanisms can have a huge impact on …

[HTML][HTML] Analysis of photosynthetic systems and their applications with mathematical and computational models

S Badu, R Melnik, S Singh - Applied Sciences, 2020 - mdpi.com
In biological and life science applications, photosynthesis is an important process that
involves the absorption and transformation of sunlight into chemical energy. During the …

Dynamical signatures of instantons: insights from path-integral studies

V Sadhasivam - 2023 - repository.cam.ac.uk
In thermal quantum systems, the quantum effects arising from the Boltzmann distribution,
that governs some of its statistical properties, can be accurately quantified using imaginary …