Tech Xplore

Using electronic structure to guide AI in designing new materials

Structure dictates function. Scientists are increasingly using artificial intelligence (AI) to design the arrangement of ...
Phys.org

Mathematical approach can predict crystal structure in hours instead of months

Researchers at New York University have devised a mathematical approach to predict the structures of crystals—a critical step in developing many medicines and electronic devices—in a matter of hours ...
Science Daily

Scientists use math to predict crystal structure in hours instead of months

Researchers have devised a mathematical approach to predict the structures of crystals -- a critical step in developing many medicines and electronic devices -- in a matter of hours using only a ...
Phys.org

Crystallography-informed AI achieves high performance in predicting novel crystal structures

A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...