From atoms to reactors, new modeling approach could sharpen catalyst design

From atoms to reactors, new modeling approach could sharpen catalyst design

In a recent article, researchers from the University of Jyväskylä, Finland, emphasize the importance of multiscale modeling of catalysis in understanding and developing (electro)chemical processes. Modern computational tools enable the examination of catalytic reactions from the atomic level to the reactor scale, opening up new possibilities for predicting and designing complex chemical processes.