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Photosynthetic Light-Harvesting and Energy Conversion

Advances in electronic-structure calculations, structure-based theoretical modeling of quantum dynamics and spectroscopic tools are improving our understanding of photosynthetic energy transfer and energy conversion. Coherent multidimensional spectroscopy has revealed underlying electronic couplings and quantum dynamics in unprecedented detail, stimulating theoretical work to describe and interpret the experimental observations. This special issue celebrates the progress made in pushing the experimental and theoretical frontiers of photosynthesis research.

Guest Editors: Graham Fleming, Jun Minagawa, Thomas Renger, Gabriela Schlau-Cohen with JCP Editors Jennifer P Ogilvie, Qiang Shi, Xiaoyang Zhu

EDITORIALS

Photosynthetic light harvesting and energy conversion

Graham R. Fleming; Jun Minagawa; Thomas Renger; Gabriela S. Schlau-Cohen

10.1063/5.0170807

Biological Molecules and Networks

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

10.1063/5.0095763

Biological Molecules and Networks

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

Anjali Pandit

10.1063/5.0094446

Biological Molecules and Networks

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

Sohang Kundu; Reshmi Dani; Nancy Makri

10.1063/5.0093828

Theoretical Methods and Algorithms

Structure-based model of fucoxanthin–chlorophyll protein complex: Calculations of chlorophyll electronic couplings

Austėja Mikalčiūtė; Andrius Gelzinis; Mindaugas Mačernis; Claudia Büchel; Bruno Robert; Leonas Valkunas; Jevgenij Chmeliov

10.1063/5.0092154

Theoretical Methods and Algorithms

Optical signatures of the coupling between excitons and charge transfer states in linear molecular aggregates

M. Manrho; T. L. C. Jansen; J. Knoester

10.1063/5.0095470

Biological Molecules and Networks

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

Pooja Sarngadharan; Sayan Maity; Ulrich Kleinekathöfer

10.1063/5.0091005

Biological Molecules and Networks

Xanthophyll-cycle based model of the rapid photoprotection of Nannochloropsis in response to regular and irregular light/dark sequences

Audrey H. Short; Thomas P. Fay; Thien Crisanto; Johanna Hall; Collin J. Steen; Krishna K. Niyogi; David T. Limmer; Graham R. Fleming

10.1063/5.0089335

Theoretical Methods and Algorithms

Diagrammatic quantum Monte Carlo toward the calculation of transport properties in disordered semiconductors

Yu-Chen Wang; Yi Zhao

10.1063/5.0091124

Theoretical Methods and Algorithms

2D electronic-vibrational spectroscopy with classical trajectories

Kritanjan Polley; Roger F. Loring

10.1063/5.0090868

Biological Molecules and Networks

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

10.1063/5.0087898

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