Conspectus Organic semiconductors (OSs) are an exciting class of materials that have
enabled disruptive technologies in this century including large-area electronics, flexible …

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 …

Small‐molecule organic semiconductors are promising materials for applications ranging
from solar cells to medical sensors. Their nearly infinite design space means that, in theory …

Recent advances in non-fullerene acceptors (NFAs) have significantly increased the
efficiency of organic photovoltaics, reaching approximately 20% in single junction solar …

A series of candidates of thermally activated delayed fluorescence (TADF) materials, which
have important applications in organic light emitting diodes devices, are identified by a high …

Knowledge of the full phonon spectrum is essential to accurately calculate the dynamic
disorder (σ) and hole mobility (μ h) in organic semiconductors (OSCs). However, most …

The nature of interchain π-system contacts, and their relationship to hole transport, are
elucidated for the high-mobility, noncrystalline conjugated polymer C16-IDTBT by the …

Dynamic disorder manifested in fluctuations of charge transfer integrals considerably
hinders charge transport in high-mobility organic semiconductors. Accordingly, strategies for …

Further progress in organic electronics demands new highly efficient organic semiconductor
(OS) materials. So far, however, band‐like charge transport with high mobilities has been …

Molecular materials are challenging to design as their packing arrangements, and hence
their properties, are subject to subtle variations in the interplay of soft intermolecular …