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 ...

Artificial intelligence is often used to generate images. In research, specialized AI models are used for scientific ...

A method to interpret artificial intelligence (AI) models used in materials discovery by analyzing their learned features has ...

AI method reconstructs missing hydrogen atom positions in crystal databases, enabling faster, more accurate materials ...

Researchers developed a method that gradually adds and removes atoms in simulations, enabling realistic modeling of crystal defects that affect material strength. (Nanowerk News) Most materials, ...

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