Get the latest tech news

AI model can reveal the structures of crystalline materials | MIT News | Massachusetts Institute of Technology

MIT chemists developed a generative AI model to help determine structures of powdered crystal materials. This could help researchers characterize materials for use in batteries, magnets, and many other applications.

Freedman and Jure Leskovec, a professor of computer science at Stanford University, are the senior authors of the new study, which appears today in the Journal of the American Chemical Society. “We found a lot of new materials from existing data, and most importantly, solved three unknown structures from our lab that comprise the first new binary phases of those combinations of elements,” Freedman says. Being able to determine the structures of powdered crystalline materials could help researchers working in nearly any materials-related field, according to the MIT team, which has posted a web interface for the model at crystalyze.org.

Get the Android app