“This enables us to look at really detailed kinetics—for example, of catalysts working inside of different zeolites or metal-organic frameworks,” Windus says. With funding from the US Department of Energy, Windus and the NWChemEx team will begin their exascale journey by studying the transformation of propanol to propene through a zeolite material perfused with solvent.
by Ariana Remmel | September 02, 2022