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Six ORNL scientists have been elected as fellows to the American Association for the Advancement of Science, or AAAS. Credit: ORNL, U.S. Dept. of Energy

Six ORNL scientists have been elected as fellows to the American Association for the Advancement of Science, or AAAS.

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.

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.

Sarah Cousineau

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

Substituting deuterium for hydrogen makes methylammonium heavier and slows its swaying so it can interact with vibrations that remove heat, keeping charge carriers hot longer. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Led by ORNL and the University of Tennessee, Knoxville, a study of a solar-energy material with a bright future revealed a way to slow phonons, the waves that transport heat.

VERA’s tools allow a virtual window inside the reactor core, down to a molecular level.

As CASL ends and transitions to VERA Users Group, ORNL looks at the history of the program and its impact on the nuclear industry.

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.

Analyses of lung fluid cells from COVID-19 patients conducted on the nation’s fastest supercomputer point to gene expression patterns that may explain the runaway symptoms produced by the body’s response to SARS-CoV-2. Credit: Jason B. Smith/ORNL, U.S. Dept. of Energy

A team led by Dan Jacobson of Oak Ridge National Laboratory used the Summit supercomputer at ORNL to analyze genes from cells in the lung fluid of nine COVID-19 patients compared with 40 control patients.

The CrossVis application includes a parallel coordinates plot (left), a tiled image view (right) and other interactive data views. Credit: Chad Steed/Oak Ridge National Laboratory, U.S. Dept. of Energy

From materials science and earth system modeling to quantum information science and cybersecurity, experts in many fields run simulations and conduct experiments to collect the abundance of data necessary for scientific progress.

Sergei Kalinin

Five researchers at the Department of Energy’s Oak Ridge National Laboratory have been named ORNL Corporate Fellows in recognition of significant career accomplishments and continued leadership in their scientific fields.