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Journal Articles

First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex

Piermarco Saraceno, Vladislav Sláma, Lorenzo Cupellini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 184112 (2023)
https://doi.org/10.1063/5.0170295
Published: November 2023
View article titled, First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex
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Includes: Supplementary data
Journal Articles

Photosynthetic light harvesting and energy conversion

Graham R. Fleming, Jun Minagawa, Thomas Renger, Gabriela S. Schlau-Cohen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 100401 (2023)
https://doi.org/10.1063/5.0170807
Published: September 2023
View article titled, Photosynthetic light harvesting and energy conversion
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Journal Articles

Two-dimensional fluorescence excitation spectroscopy: A novel technique for monitoring excited-state photophysics of molecular species with high time and frequency resolution

Jianmin Yang, Maxim F. Gelin, Lipeng Chen, František Šanda, Erling Thyrhaug, Jürgen Hauer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 074201 (2023)
https://doi.org/10.1063/5.0156297
Published: August 2023
View article titled, Two-dimensional fluorescence excitation spectroscopy: A novel technique for monitoring excited-state photophysics of molecular species with high time and frequency resolution
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Journal Articles

An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method

Kai Zhong, Hoang Long Nguyen, Thanh Nhut Do, Howe-Siang Tan, Jasper Knoester, Thomas L. C. Jansen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 064103 (2023)
https://doi.org/10.1063/5.0136652
Published: February 2023
View article titled, An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method
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Journal Articles

Characterization of excited states in time-dependent density functional theory using localized molecular orbitals

Souloke Sen, Bruno Senjean, Lucas Visscher
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 054115 (2023)
https://doi.org/10.1063/5.0137729
Published: February 2023
View article titled, Characterization of excited states in time-dependent density functional theory using localized molecular orbitals
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Includes: Supplementary data
Journal Articles

An efficient protocol for excited states of large biochromophores

Oliver Feighan, Frederick R. Manby, Susannah Bourne-Worster
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 024107 (2023)
https://doi.org/10.1063/5.0132417
Published: January 2023
View article titled, An efficient protocol for excited states of large biochromophores
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Includes: Supplementary data
Journal Articles

Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach

Thomas P. Fay, David T. Limmer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 174104 (2022)
https://doi.org/10.1063/5.0117659
Published: November 2022
View article titled, Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach
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Journal Articles

Accuracy of approximate methods for the calculation of absorption-type linear spectra with a complex system–bath coupling

J. A. Nöthling, Tomáš Mančal, T. P. J. Krüger
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 095103 (2022)
https://doi.org/10.1063/5.0100977
Published: September 2022
View article titled, Accuracy of approximate methods for the calculation of absorption-type linear spectra with a complex system–bath coupling
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Includes: Supplementary data
Journal Articles

A simple improved low temperature correction for the hierarchical equations of motion

Thomas P. Fay
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 054108 (2022)
https://doi.org/10.1063/5.0100365
Published: August 2022
View article titled, A simple improved low temperature correction for the hierarchical equations of motion
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Includes: Supplementary data
Journal Articles

Observation of conformational dynamics in single light-harvesting proteins from cryptophyte algae

Raymundo Moya, Audrey C. Norris, Leah C. Spangler, Gregory D. Scholes, Gabriela S. Schlau-Cohen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 035102 (2022)
https://doi.org/10.1063/5.0095763
Published: July 2022
View article titled, Observation of conformational dynamics in single light-harvesting proteins from cryptophyte algae
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Includes: Supplementary data
Journal Articles

Structural dynamics of light harvesting proteins, photosynthetic membranes, and cells observed by spectral editing solid-state NMR

Anjali Pandit
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 025101 (2022)
https://doi.org/10.1063/5.0094446
Published: July 2022
View article titled, Structural dynamics of light harvesting proteins, photosynthetic membranes, and cells observed by spectral editing solid-state NMR
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Journal Articles

B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations

Sohang Kundu, Reshmi Dani, Nancy Makri
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 015101 (2022)
https://doi.org/10.1063/5.0093828
Published: July 2022
View article titled, B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations
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Journal Articles

Dynamics of photosynthetic light harvesting systems interacting with N-photon Fock states

Liwen Ko, Robert L. Cook, K. Birgitta Whaley
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 244108 (2022)
https://doi.org/10.1063/5.0082822
Published: June 2022
View article titled, Dynamics of photosynthetic light harvesting systems interacting with N-photon Fock states
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Includes: Supplementary data
Journal Articles

Spectral densities and absorption spectra of the core antenna complex CP43 from photosystem II

Pooja Sarngadharan, Sayan Maity, Ulrich Kleinekathöfer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 215101 (2022)
https://doi.org/10.1063/5.0091005
Published: June 2022
View article titled, Spectral densities and absorption spectra of the core antenna complex CP43 from photosystem II
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Includes: Supplementary data
Journal Articles

Molecular mechanisms of light harvesting in the minor antenna CP29 in near-native membrane lipidic environment

Samim Sardar, Roberto Caferri, Franco V. A. Camargo, Javier Pamos Serrano, Alberto Ghezzi, Stefano Capaldi, Luca Dall’Osto, Roberto Bassi, Cosimo D’Andrea, Giulio Cerullo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 205101 (2022)
https://doi.org/10.1063/5.0087898
Published: May 2022
View article titled, Molecular mechanisms of light harvesting in the minor antenna CP29 in near-native membrane lipidic environment
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Includes: Supplementary data
Journal Articles

Two-dimensional electronic spectroscopy of the Qx to Qy relaxation of chlorophylls a in photosystem II core complex

Thanh Nhut Do, Hoang Long Nguyen, Stefano Caffarri, Howe-Siang Tan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 145102 (2022)
https://doi.org/10.1063/5.0079500
Published: April 2022
View article titled, Two-dimensional electronic spectroscopy of the Q<sub>x</sub> to Q<sub>y</sub> relaxation of chlorophylls <em>a</em> in photosystem II core complex
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Journal Articles

Ultrafast excitation quenching by the oxidized photosystem II reaction center

Parveen Akhtar, Gábor Sipka, Wenhui Han, Xingyue Li, Guangye Han, Jian-Ren Shen, Győző Garab, Howe-Siang Tan, Petar H. Lambrev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 145101 (2022)
https://doi.org/10.1063/5.0086046
Published: April 2022
View article titled, Ultrafast excitation quenching by the oxidized photosystem II reaction center
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Includes: Supplementary data
Journal Articles

Excited states of chlorophyll a and b in solution by time-dependent density functional theory

Zhe Zhu, Masahiro Higashi, Shinji Saito
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 124111 (2022)
https://doi.org/10.1063/5.0083395
Published: March 2022
View article titled, Excited states of chlorophyll <em>a</em> and <em>b</em> in solution by time-dependent density functional theory
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Includes: Supplementary data
Journal Articles

Vibrational and vibronic coherences in the energy transfer process of light-harvesting complex II revealed by two-dimensional electronic spectroscopy

Ruidan Zhu, Meixia Ruan, Hao Li, Xuan Leng, Jiading Zou, Jiayu Wang, Hailong Chen, Zhuan Wang, Yuxiang Weng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 125101 (2022)
https://doi.org/10.1063/5.0082280
Published: March 2022
View article titled, Vibrational and vibronic coherences in the energy transfer process of light-harvesting complex II revealed by two-dimensional electronic spectroscopy
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Includes: Supplementary data
Journal Articles

The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol

Edoardo Cignoni, Vladislav Slama, Lorenzo Cupellini, Benedetta Mennucci
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 120901 (2022)
https://doi.org/10.1063/5.0086275
Published: March 2022
View article titled, The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol
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