Crystal structures underpin the physical properties of materials, while intermetallic compounds—characterised by well‐defined stoichiometries and ordered arrangements of metallic elements—offer a rich ...

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 ...

Chemical engineers have developed a machine-learning model that can predict a compound's oxidation state, a property that is so essential that many chemists argue it must be included in the periodic ...

UB chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their molecules, but the molecules in ...

An artificial intelligence created by Google DeepMind may help revolutionise materials science, providing new ways to make better batteries, solar panels, computer chips and many more vital ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals and design of functional materials. In pharmaceuticals, crystal structures ...

Duplicates of crystal structures are flooding databases, implicating repositories hosting organic, inorganic, and computer-generated crystals. The issue raises questions about curation practices at ...