[Case Presentation] Panasonic New Design of Materials for Organic Electronics

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last updated：Oct 01, 2025

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Panasonic and Schrödinger have designed over 50 new molecules that improve hole mobility.

Researchers at Panasonic are working on the novel development of organic semiconductor materials with high-efficiency characteristics. Panasonic is conducting joint research with Schrödinger, utilizing the high processing capabilities for DFT calculations, building machine learning/deep learning models, and enumerating chemical substances, leveraging the computational power and expertise provided by Schrödinger to achieve new designs of molecular materials. This catalog is a collection of case studies on "Novel Design of Hole-Conducting Molecular Materials for Organic Electronics," which Schrödinger has collaborated on with Panasonic. We invite you to read it. *For more details, please refer to the PDF document or feel free to contact us.*

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**Summary** ■ Significant time reduction and cost savings Development and evaluation of three new material design methods Enumeration and screening of 14 million molecules Conducted 9,000 DFT calculations Identified over 50 molecules with target performance characteristics ■ Performance improvement Identified molecules with hole regeneration energy lower than that of known molecules in the training dataset (up to 22% reduction) ■ Development of highly predictive machine learning (ML) models Utilized 250,000 molecular data for DFT calculations ■ Proposals from a new perspective The high-performance new material design methods can complement enumeration and virtual screening of molecules *For more details, please refer to the PDF document or feel free to contact us.*