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 ...

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 ...

In groundbreaking materials research, a team has made a discovery that blends the best of two sought-after qualities for touchscreens and smart windows -- transparency and conductivity. In ...

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 ...

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 ...