Coherent two-dimensional and broadband electronic spectroscopies

S Biswas, JW Kim, X Zhang, GD Scholes - Chemical Reviews, 2022 - ACS Publications
Over the past few decades, coherent broadband spectroscopy has been widely used to
improve our understanding of ultrafast processes (eg, photoinduced electron transfer, proton …

Structural basis of light‐harvesting in the photosystem II core complex

F Müh, A Zouni - Protein Science, 2020 - Wiley Online Library
Photosystem II (PSII) is a membrane‐spanning, multi‐subunit pigment–protein complex
responsible for the oxidation of water and the reduction of plastoquinone in oxygenic …

Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II

M Capone, A Sirohiwal, M Aschi… - Angewandte Chemie …, 2023 - Wiley Online Library
Photosystem‐II (PSII) is a multi‐subunit protein complex that harvests sunlight to perform
oxygenic photosynthesis. Initial light‐activated charge separation takes place at a reaction …

Surface hopping dynamics beyond nonadiabatic couplings for quantum coherence

JK Ha, IS Lee, SK Min - The journal of physical chemistry letters, 2018 - ACS Publications
Description of correct electron–nuclear couplings is crucial in modeling of nonadiabatic
dynamics. Within traditional semiclassical or mixed quantum–classical dynamics, the …

Impact of energy limitations on function and resilience in long-wavelength Photosystem II

S Viola, W Roseby, S Santabarbara, D Nürnberg… - Elife, 2022 - elifesciences.org
Photosystem II (PSII) uses the energy from red light to split water and reduce quinone, an
energy-demanding process based on chlorophyll a (Chl-a) photochemistry. Two types of …

PyUNIxMD: A Python‐based excited state molecular dynamics package

IS Lee, JK Ha, D Han, TI Kim… - Journal of …, 2021 - Wiley Online Library
Theoretical/computational description of excited state molecular dynamics is nowadays a
crucial tool for understanding light‐matter interactions in many materials. Here we present …

From antenna to reaction center: Pathways of ultrafast energy and charge transfer in photosystem II

SJ Yang, EA Arsenault, K Orcutt… - Proceedings of the …, 2022 - National Acad Sciences
The photosystem II core complex (PSII-CC) is the smallest subunit of the oxygenic
photosynthetic apparatus that contains core antennas and a reaction center, which together …

Independent trajectory mixed quantum-classical approaches based on the exact factorization

JK Ha, SK Min - The Journal of Chemical Physics, 2022 - pubs.aip.org
Mixed quantum-classical dynamics based on the exact factorization exploits the “derived”
electron-nuclear correlation (ENC) term, aiming for the description of quantum coherences …

Time-resolved infrared absorption spectroscopy applied to photoinduced reactions: how and why

A Mezzetti, J Schnee, A Lapini, M Di Donato - … & Photobiological Sciences, 2022 - Springer
Time-resolved infrared (IR) spectroscopy is a widely used technique in the investigation of
photoinduced reactions, given its capabilities of providing structural information about the …

Light-induced reversible reorganizations in closed Type II reaction centre complexes: physiological roles and physical mechanisms

G Sipka, L Nagy, M Magyar, P Akhtar… - Open …, 2022 - royalsocietypublishing.org
The purpose of this review is to outline our understanding of the nature, mechanism and
physiological significance of light-induced reversible reorganizations in closed Type II …