Global and Local Connectivities Describe Hydrogen Intercalation in Metal Oxides

Global Connectivity Predicts Reactivity

“…Some methods exist for making these predictions, but they require detailed knowledge about the arrangement of the atoms and are computationally expensive to perform and thus slow to run. Now Evan Miu and his colleagues at the University of Pittsburgh have developed a method that requires only information about the connectivity of the atoms, is computationally cheap, and is quick to run [1]. Their method accurately predicts how metal oxides interact with hydrogen in a reaction important to energy storage and catalysis.…”