Coherence in Chemistry: Foundations and Frontiers

JD Schultz, JL Yuly, EA Arsenault, K Parker… - Chemical …, 2024 - ACS Publications
Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …

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 …

Advanced capabilities of the PYXAID program: integration schemes, decoherence effects, multiexcitonic states, and field-matter interaction

AV Akimov, OV Prezhdo - Journal of chemical theory and …, 2014 - ACS Publications
In our previous work [J. Chem. Theory Comput. 2013, 9, 4959], we introduced the PYXAID
program, developed for the purpose of performing nonadiabatic molecular dynamics …

Chlorosome antenna complexes from green photosynthetic bacteria

GS Orf, RE Blankenship - Photosynthesis research, 2013 - Springer
Chlorosomes are the distinguishing light-harvesting antenna complexes that are found in
green photosynthetic bacteria. They contain bacteriochlorophyll (BChl) c, d, e in natural …

Photonics meets excitonics: natural and artificial molecular aggregates

SK Saikin, A Eisfeld, S Valleau, A Aspuru-Guzik - Nanophotonics, 2013 - degruyter.com
Organic molecules store the energy of absorbed light in the form of charge-neutral molecular
excitations–Frenkel excitons. Usually, in amorphous organic materials, excitons are viewed …

Persistent electronic coherence despite rapid loss of electron–nuclear correlation

AV Akimov, OV Prezhdo - The Journal of Physical Chemistry …, 2013 - ACS Publications
Long-lived coherences of excited states are notable for their positive effect on energy
conversion mechanisms and efficiencies in photosynthetic complexes. Rational engineering …

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 …

A simple solution to the trivial crossing problem in surface hop**

L Wang, OV Prezhdo - The journal of physical chemistry letters, 2014 - ACS Publications
Surface hop** studies on supramolecular and nanoscale systems suffer severely from the
trivial crossing problem, arising due to high density of adiabatic potential energy surfaces …

Light harvesting in phototrophic bacteria: structure and function

RG Saer, RE Blankenship - Biochemical Journal, 2017 - portlandpress.com
This review serves as an introduction to the variety of light-harvesting (LH) structures present
in phototrophic prokaryotes. It provides an overview of the LH complexes of purple bacteria …

Does coherence enhance transport in photosynthesis?

I Kassal, J Yuen-Zhou… - The journal of physical …, 2013 - ACS Publications
Recent observations of coherence in photosynthetic complexes have led to the question of
whether quantum effects can occur in vivo, not under femtosecond laser pulses but in …