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 ...

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 ...

As free-electron laser facilities continue to expand around the world, the impact of this work is likely to grow. Researchers seeking to understand the ultrafast behaviour of materials now possess a ...

Researchers at New York University 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 ...

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 ...

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 ...

Drug discovery has traditionally followed the "rule of 5," which identifies chemical properties generally associated with ...

Researchers have developed a new material that could help make future computer memory more energy-efficient. Its unusual ...

University of Warwick researchers have created a new material combining two properties, magnetism and electrical polarization, that scientists have struggled to bring together for decades—and ...

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