Researchers in Korea have developed an artificial intelligence (AI) technology that predicts molecular properties by learning ...

By learning electron-level information, Korean researchers have created an artificial intelligence (AI) tool that can ...

Figuring out certain aspects of a material's electron structure can take a lot out of a computer—up to a million CPU hours, in fact. A team of Yale researchers, though, are using a type of ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

The team trained a generative AI model on 40,000 known atomic structures to develop a system that is able to make sense of these inferior X-ray patterns. The machine learning technique, called ...