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.

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...

Crystal structures underpin the physical properties of materials, while intermetallic compounds—characterised by well‐defined stoichiometries and ordered arrangements of metallic elements—offer a rich ...

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 ...

Placing materials under extremely strong magnetic fields can give rise to unusual and fascinating physical phenomena or ...

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 ...

We show here that computer game players can build high-quality crystal structures. Introduction of a new feature into the computer game Foldit allows players to build and real-space refine structures ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals and design of functional materials. In pharmaceuticals, crystal structures ...

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 ...

The brilliantly shiny diamond is more than just pretty; it's one of the hardest minerals on Earth, with a name derived from the Greek word adámas, meaning unbreakable. Scientists have now engineered a ...