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 ...

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 ...