In chemical reactions, molecules transform from reactants into reaction products through a critical geometry called a transition state that lasts less than one millionth of one millionth of a second.

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 ...

In chemical reactions, molecules proceed during their transformation from reactants into reaction products through a critical geometry. In chemistry, geometry refers to the arrangement of atoms in a ...