With quantum chemistry, researchers led by PNNL computational scientist Simone Raugei are discovering how enzymes such as nitrogenase serve as natural catalysts that efficiently break apart molecular bonds to control energy and matter.
Using public data from the entire 1,500-square-mile Los Angeles metropolitan area, PNNL researchers reduced the time needed to create a traffic congestion model by an order of magnitude, from hours to minutes.
Tracking down nefarious users is just one example of work at PNNL’s Center for Advanced Technology Evaluation, a computing proving ground supported by DOE’s Advanced Scientific Computing Research program.
Pacific Northwest National Laboratory researchers used machine learning to explore the largest water clusters database, identifying—with the most accurate neural network—important information about this life-essential molecule.
Making sure there’s enough electricity at the lowest price is a critical endeavor undertaken daily by electricity market operators. Now, there’s an approach that provides more timely and accurate information to make day-ahead decisions.