Photosystem II (PSII) of plants is a dynamic supramolecular machine to perform efficient light-harvesting while preventing photodamage. The secrets underlying its extraordinary efficiency are encoded in the structure and yet not fully understood. With our new work published in Cell Reports Physical Science, we built the first fully ab initio model of PSII, including about 300 pigments. This model allowed us to directly follow the dynamics of the excitation across the entire photosystem, and unveil preferential pathways and their driving force. Our analyses provide unprecedented insights on the molecular mechanisms underpinning the biological function and open the way to exploit natural strategies for future applications.
E. Betti, L. Cupellini, B. Mennucci
Quantum chemical modeling of energy flow and photoprotection in photosystem II
Cell Rep. Phys. Sci. (2026), 103099 DOI: 10.1016/j.xcrp.2026.103099