A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...

A research team synthesized and determined the structure of a borate-linked 3D crystalline covalent organic framework, ...

Crystallography is the science of analyzing the pattern produced by shining an X-ray beam through a material sample. A powder sample produces a different pattern than solid crystal. One longstanding ...

For decades, relaxor ferroelectrics have powered everything from medical ultrasounds to sonar systems, yet their inner atomic structure remained a mystery—until now. Researchers have finally mapped ...

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 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, ...

Organic molecular crystals can respond to external stimuli such as heat, light, and mechanical force, making them attractive candidates for next-generation functional materials. However, predicting ...

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