Prediction of band gap for 2D hybrid organic–inorganic perovskites by using machine learning through molecular graphics descriptors
Zhongyu Wan, Quan‐De Wang, Dongchang Liu, Jinhu Liang
Abstract
Molecular graphics descriptors are used to predict the band gap of 2D perovskites.
Topics & Concepts
ChemistryMolecular graphicsGraphicsBand gapChemical physicsComputer graphicsArtificial intelligenceComputer graphics (images)OptoelectronicsComputer sciencePhysicsPerovskite Materials and ApplicationsMachine Learning in Materials ScienceConducting polymers and applications