Duplicates of crystal structures are flooding databases, implicating repositories hosting organic, inorganic, and ...

Crystal structure prediction is, after years of hard work by many, many groups, finally reaching the point where it’s going ...

Developing and manufacturing effective, safe, reliable new drugs or critical new materials for use in semiconductors or applications involving dangerous materials requires many layers of knowledge.

But it always amazes me how you can get so much information from something so tiny.’ Today, Hatcher’s work primarily focuses ...

The ability to predict crystal structures is a key part of the design of new materials. New research shows that a mathematical algorithm can guarantee to predict the structure of any material just ...

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?

More than 90 years ago, Linus Pauling published a set of five empirical principles explaining why ionic compounds form the crystal structures that they do. Those principles, now known as Pauling’s ...

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 ...

If quantum computing is going to become an every-day reality, we need better superconducting thin films, the hardware that ...