Everything we can see and touch, and quite a lot that we can’t as well, is made of tiny particles called atoms. Some substances, like particles of this iron, contain only one kind of atom. Iron is an ...

The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them. Scientists believe undiscovered chemical compounds could help remove ...

Chemists and material scientists have often focused on the properties of previously reported compounds, but neglect numerous unreported but chemically plausible compounds that could have interesting ...

The use of machine learning is becoming increasingly common in computational materials science. To build effective models of the chemistry of materials, useful machine-based representations of atoms ...

A chemical compound is a chemical substance consisting of two or more different chemically bonded chemical elements, with a fixed ratio determining the composition. The ratio of each element is ...