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 ...

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 ...

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 ...

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 ...

With the novel coronavirus, SARS-CoV-2, spreading across the globe, labs are shutting down as people are told to stay at home. But some labs are still hard at work, looking for druggable targets to ...