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 …

The influence of exciton–vibrational coupling on the optical and transport properties of
molecular aggregates is an old problem that gained renewed interest in recent years. On the …

In this review, we discuss investigations of electronic excitation energy transfer in
conjugated organic materials at the bulk and single molecule level and applications of …

A series of donor− spacer− acceptor triads has been synthesized and fully characterized.
Both donor and acceptor units are built from boron dipyrromethene (BODIPY) dyes but they …

In this work we report a study of the role of coherence dynamics in the intermediate coupling
regime of electronic energy transfer (EET). Starting from the idea that in the intermediate …

Two wide‐band‐capturing donor‐acceptor conjugates featuring bis‐styrylBODIPY and
perylenediimide (PDI) have been newly synthesized, and the occurrence of ultrafast …

Quantum chemical protocols explaining the crystal structures and the visible light absorption
properties of 3, 4: 9, 10-perylene tetracarboxylic acid bisimide (PBI) derivates are proposed …

Exciton diffusion is a critical step for energy conversion in optoelectronic devices. This
spawns the desire for theoretical approaches that allow for fast but reliable determinations of …

This perspective will focus on the mechanistic aspects of singlet and triplet excitation energy
transfer. Well defined donor–bridge–acceptor systems specifically designed for investigating …

While Coupled-Cluster methods have been proven to provide an accurate description of
excited electronic states, the scaling of the computational costs with the system size limits …