Volume 156, Issue 1

Search all Photosynthesis Research articles

April 2023

Special Issue on Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale

Issue Editors:

Nicoletta Liguori,
Lorenzo Cupellini

12 articles in this issue

Special issue on quantum and classical computational methods in photosynthesis: from the atom to the mesoscale
Lorenzo Cupellini
Nicoletta Liguori
Editorial 27 March 2023 Pages: 1 - 2
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
The role of the local environment on the structural heterogeneity of carotenoid β-ionone rings
Roman Y. Pishchalnikov
Igor A. Yaroshevich
Eugene G. Maksimov
Original article 05 September 2022 Pages: 3 - 17
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Signatures of intramolecular vibrational and vibronic Q\(_{\mathrm{x}}\)–Q\(_{\mathrm{y}}\) coupling effects in absorption and CD spectra of chlorophyll dimers
Joachim Seibt
Dominik Lindorfer
Thomas Renger
Original article Open access 30 August 2022 Pages: 19 - 37
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Towards the description of charge transfer states in solubilised LHCII using subsystem DFT
Souloke Sen
Lucas Visscher
Original article Open access 21 August 2022 Pages: 39 - 57
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
The location of the low-energy states in Lhca1 favors excitation energy transfer to the core in the plant PSI-LHCI supercomplex
Vladimir I. Novoderezhkin
Roberta Croce
Original article 14 November 2022 Pages: 59 - 74
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex
Lorenzo Cupellini
Pu Qian
Richard J. Cogdell
Original article Open access 08 June 2022 Pages: 75 - 87
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Predicting the oxidation states of Mn ions in the oxygen-evolving complex of photosystem II using supervised and unsupervised machine learning
Muhamed Amin
Original Article Open access 27 July 2022 Pages: 89 - 100
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Tools for analyzing protonation states and for tracing proton transfer pathways with examples from the Rb. sphaeroides photosynthetic reaction centers
Rongmei Judy Wei
Umesh Khaniya
M. R. Gunner
Original article 29 October 2022 Pages: 101 - 112
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Regulation of light energy conversion between linear and cyclic electron flow within photosystem II controlled by the plastoquinone/quinol redox poise
Colin Gates
Gennady Ananyev
G. Charles Dismukes
Original Article 27 November 2022 Pages: 113 - 128
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Cyclic electron flow around photosystem II in silico: How it works and functions in vivo
Apostolos Zournas
Kyle Mani
G. Charles Dismukes
Original article 08 February 2023 Pages: 129 - 145
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
Recent progress in atomistic modeling of light-harvesting complexes: a mini review
Sayan Maity
Ulrich Kleinekathöfer
Review Open access 07 October 2022 Pages: 147 - 162
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)
A perspective on the major light-harvesting complex dynamics under the effect of pH, salts, and the photoprotective PsbS protein
Eleni Navakoudis
Taxiarchis Stergiannakos
Vangelis Daskalakis
Review Open access 10 July 2022 Pages: 163 - 177
Part of 1 collection:

Quantum and Classical Computational Methods in Photosynthesis - From the Atom to the Mesoscale (Special Issue)

Volume 156, Issue 1

Special issue on quantum and classical computational methods in photosynthesis: from the atom to the mesoscale

The role of the local environment on the structural heterogeneity of carotenoid β-ionone rings

Signatures of intramolecular vibrational and vibronic Q\(_{\mathrm{x}}\)–Q\(_{\mathrm{y}}\) coupling effects in absorption and CD spectra of chlorophyll dimers

Towards the description of charge transfer states in solubilised LHCII using subsystem DFT

The location of the low-energy states in Lhca1 favors excitation energy transfer to the core in the plant PSI-LHCI supercomplex

Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex

Predicting the oxidation states of Mn ions in the oxygen-evolving complex of photosystem II using supervised and unsupervised machine learning

Tools for analyzing protonation states and for tracing proton transfer pathways with examples from the Rb. sphaeroides photosynthetic reaction centers

Regulation of light energy conversion between linear and cyclic electron flow within photosystem II controlled by the plastoquinone/quinol redox poise

Cyclic electron flow around photosystem II in silico: How it works and functions in vivo

Recent progress in atomistic modeling of light-harvesting complexes: a mini review

A perspective on the major light-harvesting complex dynamics under the effect of pH, salts, and the photoprotective PsbS protein

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