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 ...

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?

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 ...

Researchers at the Center for Computational Sciences, University of Tsukuba, have developed an accessible platform to overcome the limitations of conventional static docking simulations, offering new ...

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 ...

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 ...

Although occupation of dodecahedral cages by TBAB had not been previously reported, it was found that utilizing dodecahedral cages allows for higher packing density of TBAB. The results were shared in ...

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