ArticleACS omega2025
Improvement of Exciton Hamiltonians for Photosynthetic Reaction Centers by Bayesian Optimization.
Article in ACS omega, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- Light harvesting mechanism of the multi-pigment reaction center with three chlorophyll species adapted to both visible and far-red light.Photosynthesis research · 2026Article
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4 authors.
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Abstract
We implemented the Bayesian optimization (BO) method to modify exciton Hamiltonians for the photosynthetic reaction centers (RCs) to achieve better reproduction of the experimentally measured optical and circular dichroism (CD) spectra. The Python library "PHYSBO" was applied to modify the conventional exciton model for the structure of the photosystem I RC of a cyanobacterium Thermosynechococcus elongatus (T. elongatus) as an example. The BO method modified the exciton Hamiltonian, which was precalculated by the Poisson-TrESP/charge density coupling method. The method reproduced experimental properties of absorption and CD spectra, including the long-wavelength absorption bands of so-called Red-Chlorophyll
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