Light absorption and energy transfer in the antenna complexes of photosynthetic organisms

T Mirkovic, EE Ostroumov, JM Anna… - Chemical …, 2017 - ACS Publications
The process of photosynthesis is initiated by the capture of sunlight by a network of light-
absorbing molecules (chromophores), which are also responsible for the subsequent …

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 …

Delocalized excitons in natural light-harvesting complexes

SJ Jang, B Mennucci - Reviews of Modern Physics, 2018 - APS
Natural organisms such as photosynthetic bacteria, algae, and plants employ complex
molecular machinery to convert solar energy into biochemical fuel. An important common …

Exciton–vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

M Schröter, SD Ivanov, J Schulze, SP Polyutov, Y Yan… - Physics Reports, 2015 - Elsevier
The influence of exciton–vibrational coupling on the optical and transport properties of
molecular aggregates is an old problem that gained renewed interest in recent years. On the …

[HTML][HTML] Atoms to phenotypes: molecular design principles of cellular energy metabolism

A Singharoy, C Maffeo, KH Delgado-Magnero… - Cell, 2019 - cell.com
We report a 100-million atom-scale model of an entire cell organelle, a photosynthetic
chromatophore vesicle from a purple bacterium, that reveals the cascade of energy …

From atomistic modeling to excitation transfer and two-dimensional spectra of the FMO light-harvesting complex

C Olbrich, TLC Jansen, J Liebers… - The Journal of …, 2011 - ACS Publications
The experimental observation of long-lived quantum coherences in the Fenna–Matthews–
Olson (FMO) light-harvesting complex at low temperatures has challenged general intuition …

Theory and simulation of the environmental effects on FMO electronic transitions

C Olbrich, J Strümpfer, K Schulten… - The journal of …, 2011 - ACS Publications
Long-lived quantum coherence has been experimentally observed in the Fenna–Matthews–
Olson (FMO) light-harvesting complex. It is much debated which role thermal effects play …

Atomistic study of the long-lived quantum coherences in the Fenna-Matthews-Olson complex

S Shim, P Rebentrost, S Valleau, A Aspuru-Guzik - Biophysical journal, 2012 - cell.com
A remarkable amount of theoretical research has been carried out to elucidate the physical
origins of the recently observed long-lived quantum coherence in the electronic energy …

Machine learning exciton dynamics

F Häse, S Valleau, E Pyzer-Knapp… - Chemical Science, 2016 - pubs.rsc.org
Obtaining the exciton dynamics of large photosynthetic complexes by using mixed quantum
mechanics/molecular mechanics (QM/MM) is computationally demanding. We propose a …

Semiclassical path integral dynamics: Photosynthetic energy transfer with realistic environment interactions

MK Lee, P Huo, DF Coker - Annual review of physical chemistry, 2016 - annualreviews.org
This article reviews recent progress in the theoretical modeling of excitation energy transfer
(EET) processes in natural light harvesting complexes. The iterative partial linearized …