Artificial intelligence in the discovery and design of molecular semiconductors: a systematic review
Abstract
AI-driven molecular semiconductor discovery: models learn from molecular datasets to predict spectra and electronic structure, guide photoactive and emissive materials design, and accelerate device optimisation for next-generation optoelectronics.
Fields of Study & Subjects
Machine Learning in Materials Science
Advanced Sensor and Energy Harvesting Materials
Chemical and Physical Properties of Materials
Publication details
- Journal / source
- Digital Discovery
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 5
- Issue
- 3
- Pages
- 1037–1067
- Publication date
- 1 January 2026
- Language
- EN