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.
A recent edition of the Infrastructure Resilience Research Group Journal featured an article written by PNNL researchers Rob Siefken and Jake Burns about “Design Basis Threat and the Low Threat Environment.”
As a physicist at PNNL, Jon Burnett’s work is about developing instruments to detect ultra-trace radionuclide signatures, analyze samples from around the world to look for evidence of nuclear explosions, and then interpret that information.
The project received an Innovative and Novel Computational Impact on Theory and Experiment (INCITE) award, a highly competitive U.S. Department of Energy Office of Science 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.
Researchers apply numerical simulations to understand more about a sturdy material and how its basic structure responds to and resists radiation. The outcomes could help guide development of the resilient materials of the future.
