Resonance energy transfer: from fundamental theory to recent applications

GA Jones, DS Bradshaw - Frontiers in Physics, 2019 - frontiersin.org
Resonance energy transfer (RET), the transport of electronic energy from one atom or
molecule to another, has significant importance to a number of diverse areas of science …

Anti-Kasha fluorescence in molecular entities: central role of electron–vibrational coupling

K Veys, D Escudero - Accounts of Chemical Research, 2022 - ACS Publications
Conspectus According to Kasha's rule, the emission of a photon in a molecular system
always comes from the lowest excited state. A corollary of this rule (ie, the Kasha–Vavilov …

Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization

S Giannini, WT Peng, L Cupellini, D Padula… - Nature …, 2022 - nature.com
Designing molecular materials with very large exciton diffusion lengths would remove some
of the intrinsic limitations of present-day organic optoelectronic devices. Yet, the nature of …

First-principles calculations of excited-state decay rate constants in organic fluorophores

MT do Casal, K Veys, MHE Bousquet… - The Journal of …, 2023 - ACS Publications
In this Perspective, we discuss recent advances made to evaluate from first-principles the
excited-state decay rate constants of organic fluorophores, focusing on the so-called static …

[HTML][HTML] The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol

E Cignoni, V Slama, L Cupellini… - The Journal of Chemical …, 2022 - pubs.aip.org
The function of light-harvesting complexes is determined by a complex network of dynamic
interactions among all the different components: the aggregate of pigments, the protein, and …

Quantum chemical modeling of the photoinduced activity of multichromophoric biosystems: focus review

F Segatta, L Cupellini, M Garavelli… - Chemical reviews, 2019 - ACS Publications
Multichromophoric biosystems represent a broad family with very diverse members, ranging
from light-harvesting pigment–protein complexes to nucleic acids. The former are designed …

Machine learning exciton Hamiltonians in light-harvesting complexes

E Cignoni, L Cupellini, B Mennucci - Journal of Chemical Theory …, 2023 - ACS Publications
We propose a machine learning (ML)-based strategy for an inexpensive calculation of
excitonic properties of light-harvesting complexes (LHCs). The strategy uses classical …

A different perspective for nonphotochemical quenching in plant antenna complexes

E Cignoni, M Lapillo, L Cupellini… - Nature …, 2021 - nature.com
Light-harvesting complexes of plants exert a dual function of light-harvesting (LH) and
photoprotection through processes collectively called nonphotochemical quenching (NPQ) …

Multiscale models for light-driven processes

M Nottoli, L Cupellini, F Lipparini… - Annual Review of …, 2021 - annualreviews.org
Multiscale models combining quantum mechanical and classical descriptions are a very
popular strategy to simulate properties and processes of complex systems. Many alternative …

[HTML][HTML] Efficient near-infrared organic light-emitting diodes with emission from spin doublet excitons

HH Cho, S Gorgon, G Londi, S Giannini, C Cho… - Nature …, 2024 - nature.com
The development of luminescent organic radicals has resulted in materials with excellent
optical properties for near-infrared emission. Applications of light generation in this range …