When scientists study how materials behave under extreme conditions, they typically examine what happens under compression. But what occurs when you pull matter apart in all directions simultaneously?

The ability to predict crystal structures is a key part of the design of new materials. New research shows that a mathematical algorithm can guarantee to predict the structure of any material just ...

Most solid materials we rely on, from steel, to plastics and ceramics, are designed to have specific properties. Whether a material is soft and flexible, or stiff and tough depends on how molecules ...

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 ...

A new artificial intelligence model can predict how atoms arrange themselves in crystal structures. A new artificial intelligence model that can predict how atoms arrange themselves in crystal ...

(Nanowerk News) For more than 100 years, scientists have been using X-ray crystallography to determine the structure of crystalline materials such as metals, rocks, and ceramics. This technique works ...

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