Crystal polymorphism is critically important in the fields of pharmaceuticals and materials science. For instance, a metastable polymorph of an active pharmaceutical ingredient may benefit from ...

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 ...

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 ...

An international team of scientists, including researchers from Loughborough University, has developed a method to dramatically speed up the discovery and design of advanced materials. The study, ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...

For a long time, scientists associated crystal structures with an ordered arrangement of atoms in a repeating lattice-like pattern, believing it to be the most stable configuration. However, by the ...

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 ...

(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 ...