"The crystal structures of the real world are extremely diverse. They are one of nature's deepest mysteries," says Kubo, the first author of the paper. "We thought that, in a way, we could get a ...

A research team led by Yuuki Kubo and Shiji Tsuneyuki from the University of Tokyo has developed an innovative computational ...

The method can predict the structure directly from powder X-ray diffraction patterns, the patterns of X-rays passing through crystals roughly the same size as instant coffee particles. Unlike ...