Press Releases

Schrödinger scientists selected as special research topic editors in Frontiers in Chemistry -- Organic Optoelectronic Materials

April 29, 2021

Schrödinger is proud to announce that Drs. Mathew D. Hall, Senior Vice President of Materials Science, and Paul Winget, Senior Scientist II, will be guest editors of the special research topic, "Driving Innovation in Organic Optoelectronic Materials with Physics-based and Machine-learning De Novo Methods" for Frontiers in Chemistry. To learn more submitting an abstract or manuscript, please click here.



About the Research Topic:
Organic materials are a rapidly evolving class of compounds for applications in current and future optoelectronic devices. Contributing to the swift pace of discovery of new materials are computational methods based on physics, machine learning, or an astute combination of both. This is a highly interdisciplinary research area where diverse approaches yield an assortment of different chemical motifs with the desired multi-property design profile. Many of these possibilities would not have been identified using traditional approaches, and are often accompanied by new insights into fundamental structure-property relationships influencing device operation.

This Research Topic focuses on the computer-aided discovery of novel materials, leveraging machine learning, quantum mechanics and classical simulation, with an emphasis on the optical and electrical properties of organic molecules, oligomers, and polymers. High-performing material properties are an essential factor; however, the ideation of new chemistry is at the forefront of this topic. Attention will be given to methodology and applications relating to carrier transporting materials, host materials, and (co-deposited) emitting materials. Design of organic compounds in contact with metallic and oxide electrodes to reduce injection barriers are also encouraged. Finally, unique approaches to computationally-driven processing conditions, processing methods, and device structure are welcome.

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