Quantum chemical studies of light harvesting

C Curutchet, B Mennucci - Chemical reviews, 2017 - ACS Publications
The design of optimal light-harvesting (supra) molecular systems and materials is one of the
most challenging frontiers of science. Theoretical methods and computational models play a …

Long-lived electronic coherence in dissipative exciton dynamics of light-harvesting complexes

C Kreisbeck, T Kramer - The Journal of Physical Chemistry Letters, 2012 - ACS Publications
Recent experiments on light-harvesting complexes at ambient temperatures display
oscillatory signals in two-dimensional spectroscopy. They suggest mechanisms supporting …

Biological charge transfer via flickering resonance

Y Zhang, C Liu, A Balaeff… - Proceedings of the …, 2014 - National Acad Sciences
Biological electron-transfer (ET) reactions are typically described in the framework of
coherent two-state electron tunneling or multistep hopping. However, these ET reactions …

Polaritons and excitons: Hamiltonian design for enhanced coherence

GD Scholes - Proceedings of the Royal Society A, 2020 - royalsocietypublishing.org
The primary questions motivating this report are: Are there ways to increase coherence and
delocalization of excitation among many molecules at moderate electronic coupling …

The radical pair mechanism and the avian chemical compass: Quantum coherence and entanglement

Y Zhang, GP Berman, S Kais - International Journal of Quantum …, 2015 - Wiley Online Library
We review the spin radical pair mechanism which is a promising explanation of avian
navigation. This mechanism is based on the dependence of product yields on (1) the …

Predicting mutation-induced changes in the electronic properties of photosynthetic proteins from first principles: The Fenna–Matthews–Olson complex example

Y Kim, Z Mitchell, J Lawrence, D Morozov… - The Journal of …, 2023 - ACS Publications
Multiscale molecular modeling is utilized to predict optical absorption and circular dichroism
spectra of two single-point mutants of the Fenna–Matthews–Olson photosynthetic pigment …

Persistent interexcitonic quantum coherence in CdSe quantum dots

JR Caram, H Zheng, PD Dahlberg… - The journal of …, 2014 - ACS Publications
The creation and manipulation of quantum superpositions is a fundamental goal for the
development of materials with novel optoelectronic properties. In this Letter, we report …

Dynamic localization of electronic excitation in photosynthetic complexes revealed with chiral two-dimensional spectroscopy

AF Fidler, VP Singh, PD Long, PD Dahlberg… - Nature …, 2014 - nature.com
Time-resolved ultrafast optical probes of chiral dynamics provide a new window allowing us
to explore how interactions with such structured environments drive electronic dynamics …

[HTML][HTML] Correlated protein environments drive quantum coherence lifetimes in photosynthetic pigment-protein complexes

BS Rolczynski, H Zheng, VP Singh, P Navotnaya… - Chem, 2018 - cell.com
Early reports of long-lived quantum beating signals in photosynthetic pigment-protein
complexes were interpreted to suggest that electronic coherence benefits from protection by …

Evidence for a cysteine-mediated mechanism of excitation energy regulation in a photosynthetic antenna complex

GS Orf, RG Saer, DM Niedzwiedzki… - Proceedings of the …, 2016 - National Acad Sciences
Light-harvesting antenna complexes not only aid in the capture of solar energy for
photosynthesis, but regulate the quantity of transferred energy as well. Light-harvesting …