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 ...

Water squeezed rapidly at room temperature can freeze and melt through at least five different pathways, rather than ...

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 ...

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 ...

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 best when the ...

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

Atomic-scale oxygen vacancies unlock a dormant lithium-ion pathway in lithium titanate, transforming the battery material ...

Researchers at TU Graz have found a way to significantly increase the ionic conductivity of lithium titanate, potentially ...

Using artificial intelligence to create new things is all the rage right now. Whether you want text, computer code, or images, there are uncountable generative AI models that can oblige. Google ...