We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces ...

In nature and technology, crystallization plays a pivotal role, from forming snowflakes and pharmaceuticals to creating advanced batteries and desalination membranes. Despite its importance, ...

The alternative text for this image may have been generated using AI. In this study, we investigated the single-crystal-to-single-crystal (SCSC) transformation of Ca 2+ ion-exchanged Li salt (Li→Ca ...

UB chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their molecules, but the molecules in ...

Remember that old high school chemistry experiment where salt crystals precipitate out of a saltwater solution—or maybe the one where rock candy crystals form from sugar water? It turns out that your ...

Researchers have devised a mathematical approach to predict the structures of crystals -- a critical step in developing many medicines and electronic devices -- in a matter of hours using only a ...

An international group of researchers from New York University has developed a novel method of visualizing them that is similar to having X-Ray vision. With this new method, which they have fittingly ...

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