For many decades, the method to obtain atomic-level descriptions of chemical compounds and materials—be it a drug, a catalyst ...

Scientists use AI to generate designs of potential new molecules, a process that is 10 times faster and more precise.

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Researchers from Drexel University who discovered a versatile type of two-dimensional conductive nanomaterial, called a MXene ...

Chemists at UCLA are showing that some of organic chemistry’s most famous “rules” aren’t as unbreakable as once thought. By ...

UCLA researchers have violated Bredt’s rule, a century-old principle of organic chemistry, challenging our understanding of molecular shapes.

Scientists have broken a century-old chemistry rule by creating “impossible” molecules. The breakthrough could reshape drug design, materials science and how chemistry is taught worldwide.

Researchers have trained an AI process to predict potential active ingredients with special properties. Therefore, they derived a chemical language model -- a kind of ChatGPT for molecules. Following ...

How does our nose work? Have you wondered how we can detect so many different types of odors? There is chemistry behind food smells. In this activity, we will explore how small changes in chemical ...