Speeding up chemical reactions is key to improving industrial processes or mitigating unwanted or harmful waste. Realizing these improvements requires that chemists design around documented reaction ...

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

An illustration of a person in a lab coat looking at a picket fence. The field is various elements, metals specifically. Credit: Chris Gash On a summer day about 20 years ago, Paul Chirik returned to ...

While graphene is extremely famous due to its numerous intriguing features, its lack of an electronic band gap (material with a zero-band gap) has driven the quest for two-dimensional materials with ...