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.
Across the United States, organic carbon concentration imposes a primary control on river sediment respiration, with additional influences from organic matter chemistry.
PNNL’s ARENA test bed analyzes how electrical cables degrade in extreme environments and how nondestructive examination inspection technologies can detect and locate damage.
Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.
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.
