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Shown here is the structure of the NEMO protein. A team from ORNL conducted extensive molecular dynamics work on Summit by using both quantum mechanics and machine-learning methods to look at the binding affinity of NEMO and 3CLpro in humans and other species and to consider the structural models derived from the sequences of other coronaviruses. Image courtesy Nature Communications, Dan Jacobson/ORNL.

A new paper published in Nature Communications adds further evidence to the bradykinin storm theory of COVID-19’s viral pathogenesis — a theory that was posited two years ago by a team of researchers at the Department of Energy’s Oak Ridge National Laboratory.

Magnetic quantum material broadens platform for probing next-gen information technologies

Scientists at ORNL used neutron scattering to determine whether a specific material’s atomic structure could host a novel state of matter called a spiral spin liquid.

The ORNL researchers’ findings may enable better detection of uranium tetrafluoride hydrate, a little-studied byproduct of the nuclear fuel cycle, and better understanding of how environmental conditions influence the chemical behavior of fuel cycle materials. Credit: Kevin Pastoor/Colorado School of Mines

ORNL researchers used the nation’s fastest supercomputer to map the molecular vibrations of an important but little-studied uranium compound produced during the nuclear fuel cycle for results that could lead to a cleaner, safer world.

High voltage power lines carry electricity generated by the Tennessee Valley Authority to ORNL. Credit: Dobie Gillispie/ORNL, U.S. Dept. of Energy

ORNL and the Tennessee Valley Authority, or TVA, are joining forces to advance decarbonization technologies from discovery through deployment through a new memorandum of understanding, or MOU.

This protein drives key processes for sulfide use in many microorganisms that produce methane, including Thermosipho melanesiensis. Researchers used supercomputing and deep learning tools to predict its structure, which has eluded experimental methods such as crystallography.  Credit: Ada Sedova/ORNL, U.S. Dept. of Energy

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory and the Georgia Institute of Technology is using supercomputing and revolutionary deep learning tools to predict the structures and roles of thousands of proteins with unknown functions.

Oak Ridge National Laboratory launches Summit supercomputer.

The U.S. Department of Energy’s Oak Ridge National Laboratory today unveiled Summit as the world’s most powerful and smartest scientific supercomputer.