All-mode quantum–classical path integral simulation of bacteriochlorophyll dimer exciton-vibration dynamics

A Bose, N Makri - The Journal of Physical Chemistry B, 2020 - ACS Publications
We use the quantum–classical path integral (QCPI) methodology to report numerically exact,
fully quantum mechanical results for the exciton-vibration dynamics in the …

Site selective and single complex laser-based spectroscopies: a window on excited state electronic structure, excitation energy transfer, and electron–phonon …

R Jankowiak, M Reppert, V Zazubovich… - Chemical …, 2011 - ACS Publications
In photosynthesis, light is harvested and its energy is used to produce the various biological
components that support nearly all life on earth. It is oxygenic photosynthesis that led to the …

Open quantum dynamics calculations with the hierarchy equations of motion on parallel computers

J Strümpfer, K Schulten - Journal of chemical theory and …, 2012 - ACS Publications
Calculating the evolution of an open quantum system ie, a system in contact with a thermal
environment has presented a theoretical and computational challenge for many years …

How quantum coherence assists photosynthetic light-harvesting

J Strümpfer, M Sener, K Schulten - The journal of physical …, 2012 - ACS Publications
This Perspective examines how hundreds of pigment molecules in purple bacteria
cooperate through quantum coherence to achieve remarkable light-harvesting efficiency …

Map** electronic decoherence pathways in molecules

I Gustin, CW Kim, DW McCamant, I Franco - Proceedings of the National …, 2023 - pnas.org
Establishing the fundamental chemical principles that govern molecular electronic quantum
decoherence has remained an outstanding challenge. Fundamental questions such as how …

Light harvesting complex II B850 excitation dynamics

J Strümpfer, K Schulten - The Journal of chemical physics, 2009 - pubs.aip.org
The dynamics of excitation energy transfer within the B850 ring of light harvesting complex 2
from Rhodobacter sphaeroides and between neighboring B850 rings is investigated by …

Spectral hole burning: examples from photosynthesis

R Purchase, S Völker - Photosynthesis research, 2009 - Springer
The optical spectra of photosynthetic pigment–protein complexes usually show broad
absorption bands, often consisting of a number of overlap**,'hidden'bands belonging to …

Normal mode analysis of the spectral density of the Fenna–Matthews–Olson light-harvesting protein: how the protein dissipates the excess energy of excitons

T Renger, A Klinger, F Steinecker… - The Journal of …, 2012 - ACS Publications
We report a method for the structure-based calculation of the spectral density of the pigment–
protein coupling in light-harvesting complexes that combines normal-mode analysis with the …

Overall energy conversion efficiency of a photosynthetic vesicle

M Sener, J Strumpfer, A Singharoy, CN Hunter… - Elife, 2016 - elifesciences.org
The chromatophore of purple bacteria is an intracellular spherical vesicle that exists in
numerous copies in the cell and that efficiently converts sunlight into ATP synthesis …

Distribution of entanglement in light-harvesting complexes and their quantum efficiency

F Fassioli, A Olaya-Castro - New Journal of Physics, 2010 - iopscience.iop.org
Recent evidence of electronic coherence during energy transfer in photosynthetic antenna
complexes has reinvigorated the discussion about whether coherence and/or entanglement …