IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.
Highly precise and controllable single-atom catalysts are affected by reaction conditions, which can alter the bonding around the atoms and the activity.
PNNL’s ARENA test bed analyzes how electrical cables degrade in extreme environments and how nondestructive examination inspection technologies can detect and locate damage.
A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.
Researchers investigated the impact of using constant versus spatially varying crop parameters on carbon and energy fluxes in a realistic crop rotation scenario.