New research offers clearer insight into how phase transitions unfold at the atomic scale in real materials. When ice turns into water, the change happens almost instantly. Once the melting ...

In recent years, high-entropy carbide ceramics have received extensive attention and become another research focus in the high entropy materials field, which are also known as multi-component carbide ...

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 ...

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 ...