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 developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Scientists have been naming ideas, theorems, discoveries, and so on after other scientists for a very long time (Newton’s laws of motion, anyone?). Chemists are no different. They’ve been naming ...

This year's Nobel Prize in Chemistry is a little unusual in that it recognizes three things: a conceptual approach to building complicated molecules, a chemical reaction that exemplifies that concept, ...

In the past few years, researchers have turned increasingly to data science techniques to aid problem-solving in organic synthesis. The software adapts key principles of Bayesian Optimization (BO) to ...

A new twist on bromine-based flow batteries could make large-scale energy storage cheaper, safer, and far longer-lasting. Bromine-based flow batteries store and release energy through a chemical ...

For years, scientists thought some complex molecules could only be formed on Earth. But what if we found these kinds of molecules out in space after all? In this episode of Reactions, we explore new ...

Antoine-Laurent de Lavoisier, the French scientist, is known as the Father of Chemistry (Specifically, the Father of Modern ...