What is it about?
Bayesian optimization using PHYSBO improved exciton Hamiltonians for photosystem I in T. elongatus, enhancing agreement with experimental absorption and CD spectra, especially for Red-Chl a. This method also refines models for type-I RCs.
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Why is it important?
This is important for accurately and semi-automatically modeling energy transfer in photosynthetic systems.
Perspectives
This method with PHYSBO refines exciton Hamiltonians to better match experimental spectra, enhances modeling of energy transfer, and holds promise for broader RC studies and in silico design.
Akihiro Kimura
Nagoya University
Read the Original
This page is a summary of: Improvement of Exciton Hamiltonians for Photosynthetic Reaction Centers by Bayesian Optimization, ACS Omega, June 2025, American Chemical Society (ACS),
DOI: 10.1021/acsomega.5c03026.
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