The design of optimal light-harvesting (supra) molecular systems and materials is one of the
most challenging frontiers of science. Theoretical methods and computational models play a …

Natural organisms such as photosynthetic bacteria, algae, and plants employ complex
molecular machinery to convert solar energy into biochemical fuel. An important common …

Nowadays, hybrid QM/MM approaches are widely used to study (supra) molecular systems
embedded in complex biological matrices. However, in their common formulation, mutual …

Despite certain quantum concepts, such as superposition states, entanglement,'spooky
action at a distance'and tunnelling through insulating walls, being somewhat …

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 …

Obtaining the exciton dynamics of large photosynthetic complexes by using mixed quantum
mechanics/molecular mechanics (QM/MM) is computationally demanding. We propose a …

An accurate approach for computing intermolecular and intrachromophore contributions to
spectral densities to describe the electronic–nuclear interactions relevant for modeling …

Numerous linear and non-linear spectroscopic techniques have been developed to
elucidate structural and functional information of complex systems ranging from natural …

This article reviews recent progress in the theoretical modeling of excitation energy transfer
(EET) processes in natural light harvesting complexes. The iterative partial linearized …

Multichromophoric biosystems represent a broad family with very diverse members, ranging
from light-harvesting pigment–protein complexes to nucleic acids. The former are designed …