Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

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

Crystals might look simple, but their growth tells a far more complex and fascinating story. From grains of salt to diamonds, crystals form when particles lock into repeating patterns. For many years, ...

Gibaldi and his colleagues have since analysed several open-access MOF databases commonly used for machine learning and found ...

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

Ice XXI” is an entirely new phase of ice with a crystal structure that’s more complex than the ice found on Titan or Ganymede.