The function of light-harvesting complexes is determined by a complex network of dynamic
interactions among all the different components: the aggregate of pigments, the protein, and …

The ONIOM method and many extensions to it provide capabilities to treat challenging
multiscale problems in catalysis and material science. Our open‐source program Spicy is a …

Photosystem II (PSII) has the unique ability to perform water-splitting. With light-harvesting
complexes, it forms the PSII supercomplex (PSII-SC) which is a functional unit that can …

We propose a machine learning (ML)-based strategy for an inexpensive calculation of
excitonic properties of light-harvesting complexes (LHCs). The strategy uses classical …

Light-harvesting complexes of plants exert a dual function of light-harvesting (LH) and
photoprotection through processes collectively called nonphotochemical quenching (NPQ) …

We describe a method for simulating exciton dynamics in protein–pigment complexes,
including effects from charge transfer as well as fluorescence. The method combines the …

The Qy and Bx excitation energy transfer (EET) in the minor light-harvesting complex CP29
(LHCII B4. 1) antenna complex of Pisum sativum was characterized using a computational …

Efficiently balancing photochemistry and photoprotection is crucial for survival and
productivity of photosynthetic organisms in the rapidly fluctuating light levels found in natural …

In response to varying light conditions, light-harvesting complexes (LHCs) switch from a light-
harvesting state to a quenched state to protect the photosynthetic organism from excessive …

The photosynthetic apparatus is a highly modular assembly of large pigment-binding
proteins. Complexes called antennae can capture the sunlight and direct it from the …