Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …
systems, are characterized by strong coupling between electronic and vibrational degrees of …
Ultrafast laser spectroscopy uncovers mechanisms of light energy conversion in photosynthesis and sustainable energy materials
The invention of the laser in 1960 gave us the ruby laser, which generally produced chaotic
pulses of light. Six years later, in 1966, a concept called passive mode-locking applied to …
pulses of light. Six years later, in 1966, a concept called passive mode-locking applied to …
NEXMD software package for nonadiabatic excited state molecular dynamics simulations
We present a versatile new code released for open community use, the nonadiabatic excited
state molecular dynamics (NEXMD) package. This software aims to simulate nonadiabatic …
state molecular dynamics (NEXMD) package. This software aims to simulate nonadiabatic …
Nexmd v2. 0 software package for nonadiabatic excited state molecular dynamics simulations
We present NEXMD version 2.0, the second release of the NEXMD (Nonadiabatic EXcited-
state Molecular Dynamics) software package. Across a variety of new features, NEXMD v2. 0 …
state Molecular Dynamics) software package. Across a variety of new features, NEXMD v2. 0 …
Physicochemical, antioxidant properties of carotenoids and its optoelectronic and interaction studies with chlorophyll pigments
R Srivastava - Scientific Reports, 2021 - nature.com
The physicochemical and antioxidant properties of seven carotenoids: antheraxanthin, β-
carotene, neoxanthin, peridinin, violaxanthin, xanthrophyll and zeaxanthin were studied by …
carotene, neoxanthin, peridinin, violaxanthin, xanthrophyll and zeaxanthin were studied by …
Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy and ab initio calculations
Y Song, A Schubert, E Maret, RK Burdick… - Chemical …, 2019 - pubs.rsc.org
Bacteriochlorophyll a (Bchl a) and chlorophyll a (Chl a) play important roles as light
absorbers in photosynthetic antennae and participate in the initial charge-separation steps …
absorbers in photosynthetic antennae and participate in the initial charge-separation steps …
Full visible range two-dimensional electronic spectroscopy with high time resolution
Two-dimensional electronic spectroscopy (2DES) is a powerful method to study coherent
and incoherent interactions and dynamics in complex quantum systems by correlating …
and incoherent interactions and dynamics in complex quantum systems by correlating …
Electronic delocalization, vibrational dynamics, and energy transfer in organic chromophores
T Nelson, S Fernandez-Alberti… - The journal of …, 2017 - ACS Publications
The efficiency of materials developed for solar energy and technological applications
depends on the interplay between molecular architecture and light-induced electronic …
depends on the interplay between molecular architecture and light-induced electronic …
[HTML][HTML] Harnessing high-energy MLCT excited states for artificial photosynthesis
Important fractions of the energy absorbed in natural and artificial photosynthetic schemes
are dissipated via fast internal conversion processes. In contrast, chromophores that …
are dissipated via fast internal conversion processes. In contrast, chromophores that …
Impact of structure, coupling scheme, and state of interest on the energy transfer in CP29
S Petry, JC Tremblay, JP Götze - The Journal of Physical …, 2023 - ACS Publications
The Qy and Bx excitation energy transfer (EET) in the minor light-harvesting complex CP29
(LHCII B4. 1) antenna complex of Pisum sativum was characterized using a computational …
(LHCII B4. 1) antenna complex of Pisum sativum was characterized using a computational …