Researchers from Tohoku University and MIT have developed an AI tool called GNNOpt, capable of predicting optical properties based on crystal structures with quantum-level accuracy but millions of times faster. This innovation accelerates the discovery of new photovoltaic and quantum materials, crucial for optoelectronic devices like solar cells and LEDs. By leveraging graph neural networks and a universal ensemble embedding method, this AI can efficiently screen materials for various applications, paving the way for advancements in energy and quantum technologies. The findings were published in Advanced Materials.
For more details, visit the full article here:
#materials #materialsscience #materialsengineering #computationalchemistry #modelling #chemistry #researchanddevelopment #research #MaterialsSquare #ComputationalChemistry #Tutorial #DFT #simulationsoftware #simulation