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Materials for organic electronics are presently used in prominent applications, such as displays in mobile devices, while being intensely researched for other purposes, such as organic photovoltaics, large‐area devices, and thin‐film transistors. Many of the challenges to improve and optimize these applications are material related and there is a nearly infinite chemical space that needs to be explored...
In article number 1808256, Wolfgang Wenzel and co‐workers discuss the state of the art of predictive simulation methods, including machine learning, to complement experimental research in the identification of novel materials for organic electronics. Their potential is illustrated by highlighting some prominent recent applications.
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