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Frontier supercomputer

A multi-institutional team, led by a group of investigators at Oak Ridge National Laboratory, has been studying various SARS-CoV-2 protein targets, including the virus’s main protease. The feat has earned the team a finalist nomination for the Association of Computing Machinery, or ACM, Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research.

Blue sky above ORNL campus.

ORNL and three partnering institutions have received $4.2 million over three years to apply artificial intelligence to the advancement of complex systems in which human decision making could be enhanced via technology.

ORNL assisted in investigating proteins called porins, one shown in red, which are found in the protective outer membrane of certain disease-causing bacteria and tether the membrane to the cell wall. Credit: Hyea (Sunny) Hwang/Georgia Tech and ORNL, U.S. Dept. of Energy

Scientists from Oak Ridge National Laboratory used high-performance computing to create protein models that helped reveal how the outer membrane is tethered to the cell membrane in certain bacteria.

UTK researchers used neutron probes at ORNL to confirm established fundamental chemical rules can also help understand and predict atomic movements and distortions in materials when disorder is introduced, as arrows show. Credit: Eric O’Quinn/UTK

Pauling’s Rules is the standard model used to describe atomic arrangements in ordered materials. Neutron scattering experiments at Oak Ridge National Laboratory confirmed this approach can also be used to describe highly disordered materials.

ORNL’s collaboration with Cincinati Children’s Hospital Medical Center will leverage the lab’s expertise in high-performance computing and safe, secure recordkeeping. Credit: Genevieve Martin/Oak Ridge National Laboratory, U.S. Dept. of Energy

There are more than 17 million veterans in the United States, and approximately half rely on the Department of Veterans Affairs for their healthcare.

Schematic showing cholesterol stiffening DOPC membranes, making them flatter and thicker. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Neutron scattering at ORNL has shown that cholesterol stiffens simple lipid membranes, a finding that may help us better understand the functioning of human cells.

Quantum Science Center

The Department of Energy has selected Oak Ridge National Laboratory to lead a collaboration charged with developing quantum technologies that will usher in a new era of innovation.

A structural model of HgcA, shown in cyan, and HgcB, shown in purple, were created using metagenomic techniques to better understand the transformation of mercury into its toxic form, methylmercury. Photo credit: Connor Cooper/ORNL, U.S. Dept of Energy

A team led by ORNL created a computational model of the proteins responsible for the transformation of mercury to toxic methylmercury, marking a step forward in understanding how the reaction occurs and how mercury cycles through the environment.

Enzyme activity during organophosphate poisoning

Pick your poison. It can be deadly for good reasons such as protecting crops from harmful insects or fighting parasite infection as medicine — or for evil as a weapon for bioterrorism. Or, in extremely diluted amounts, it can be used to enhance beauty.

SPRUCE experiment

Oak Ridge National Laboratory scientists evaluating northern peatland responses to environmental change recorded extraordinary fine-root growth with increasing temperatures, indicating that this previously hidden belowground mechanism may play an important role in how carbon-rich peatlands respond to warming.