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 ...

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...

Gibaldi and his colleagues have since analysed several open-access MOF databases commonly used for machine learning and found that more than 40% of the crystal structures in the databases contained ...

The discovery that molecules of methane and ethane can worm their way into the crystal lattice of frozen hydrogen cyanide has ...