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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.

An organic solvent and water separate and form nanoclusters on the hydrophobic and hydrophilic sections of plant material, driving the efficient deconstruction of biomass. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

Experiments led by researchers at ORNL have determined that several hepatitis C drugs can inhibit the SARS-CoV-2 main protease, a crucial protein enzyme that enables the novel coronavirus to reproduce.

Chuck Kessel

Chuck Kessel was still in high school when he saw a scientist hold up a tiny vial of water and say, “This could fuel a house for a whole year.”

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.

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.

Suman Debnath is using simulation algorithms to accelerate understanding of the modern power grid and enhance its reliability and resilience. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Planning for a digitized, sustainable smart power grid is a challenge to which Suman Debnath is using not only his own applied mathematics expertise, but also the wider communal knowledge made possible by his revival of a local chapter of the IEEE professional society.

The first neutron structure of the SARS-CoV-2 main protease enzyme revealed unexpected electrical charges in the amino acids cysteine (negative) and histidine (positive), providing key data about the virus’s replication. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

To better understand how the novel coronavirus behaves and how it can be stopped, scientists have completed a three-dimensional map that reveals the location of every atom in an enzyme molecule critical to SARS-CoV-2 reproduction.

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.

Water from local creeks now flows through these simulated streams in the Aquatic Ecology Laboratory, providing new opportunities to study mercury pollution and advance solutions. Credit: ORNL, U.S. Dept. of Energy

New capabilities and equipment recently installed at the Department of Energy’s Oak Ridge National Laboratory are bringing a creek right into the lab to advance understanding of mercury pollution and accelerate solutions.

Sarah Cousineau

Two scientists with the Department of Energy’s Oak Ridge National Laboratory have been elected fellows of the American Physical Society.