AI Estimates Electron-Level Information for Molecular Property Prediction Without High-Cost Quantum Mechanical Calculations
Wednesday, July 2, 2025 - 01:36
in Physics & Chemistry
A joint research team led by Senior Researcher Gyoung S. Na from the Korea Research Institute of Chemical Technology (KRICT) and Professor Chanyoung Park from the Korea Advanced Institute of Science and Technology (KAIST) has developed a novel AI method--called DELID (Decomposition-supervised Electron-Level Information Diffusion)--that accurately predicts material properties using electron-level information without performing quantum mechanical computations.