The study of crystal structures provides crucial insights into the arrangement of atoms and molecules, directly influencing the physical, chemical and biological properties of materials. Advanced ...

SPaDe-CSP first predicts most probable space groups and crystal densities using machine learning and then employs an efficient neural network potential for structure refinement. Prediction of crystal ...

“Crystal Math” uses equations—and minimal resources—to rapidly predict the 3D structures of molecular crystals, which could speed up R&D for drugs and electronic devices Researchers at New York ...

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?

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 ...

BUFFALO, N.Y. — University at Buffalo chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their ...

The first crystal structure of an alternative DNA shape from the insulin gene has been revealed by a UCL-led research team. DNA is widely accepted to be formed of two strands that wind around one ...

When looking at calcite under a microscope, a scientist would immediately recognize the crystalline form of calcium carbonate by its rhombohedral appearance. That is, calcite is shaped like a ...

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 ...

Scientists have discovered that a special type of material called perovskite can physically change shape when exposed to ...

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