Accelerated screening of functional atomic impurities in halide perovskites using high-throughput computations and machine learning
Arun Mannodi‐Kanakkithodi, Maria K. Y. Chan
Topics & Concepts
ImpurityPerovskite (structure)Materials scienceHalideChemical physicsDensity functional theoryComputationMachine learningTopology (electrical circuits)Computational chemistryComputer scienceAlgorithmPhysicsChemistryInorganic chemistryCrystallographyQuantum mechanicsElectrical engineeringEngineeringPerovskite Materials and ApplicationsMachine Learning in Materials ScienceChalcogenide Semiconductor Thin Films