Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …

Density functional theory (DFT) is the most widely-used electronic structure approximation
across chemistry, physics, and materials science. Every year, thousands of papers report …

In this Review, we showcase the fundamental processes of intermolecular and
intramolecular singlet fission (SF). Furthermore we prioritize the information, which is …

Photon upconversion via triplet–triplet annihilation (TTA) has achieved high efficiencies in
solution and within polymer matrices that support molecular migration systems. It has …

We present a review of the field of high-throughput virtual screening for organic electronics
materials focusing on the sequence of methodological choices that determine each virtual …

This work uses quantum chemistry calculations and machine learning to explore design
rules for singlet fission in a chemical space of four million indigoid derivatives. We identify …

Excitation with one photon of a singlet fission (SF) material generates two triplet excitons,
thus doubling the solar cell efficiency. Therefore, the SF molecules are regarded as new …

Generative molecular design strategies have emerged as promising alternatives to trial-and-
error approaches for exploring and optimizing within large chemical spaces. To date …

Non-fullerene acceptors led to outstanding improvements in the efficiency of organic
photovoltaic devices, with high promises of further advancements. Several studies have …

The internal conversion (IC) process from S 1 to S 0 and the intersystem crossing (ISC)
transition from T 1 to S 0 are two essential processes in functional molecular material …