Machine learning workflow enables faster, more reliable organic crystal structure prediction

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

Faster and more reliable crystal structure prediction of organic molecules

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

Scientists observe how blobs form crystals and discover a new crystal type

Crystals -- from sugar and table salt to snowflakes and diamonds -- don't always grow in a straightforward way. Researchers have now captured this journey from amorphous blob to orderly structures. In ...
The Debrief

The Discovery of a New Type of Time Crystal is Challenging Past Thinking on These Unusual Structures

Researchers have discovered that quantum interactions between particles can be used to create time crystals with their own ...

For the First Time Ever, Physicists Brought a Time Crystal Into the Real World

Time crystals exhibit perpetual motion-like behavior when separated from external energy input, but scientists found a way to ...
Chemistry World

Neural network trained to classify crystal structure errors in MOF and other databases

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

Crystal structure of glycogen debranching enzyme and insights into its catalysis and disease-causing mutations

Glycogen is a branched glucose polymer and serves as an important energy store. Its debranching is a critical step in its mobilization. In animals and fungi, the 170 kDa glycogen debranching enzyme ...