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An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus.

Vittorio Badalassi, left, of Oak Ridge National Laboratory leads the Fusion Energy Reactor Models Integrator, or FERMI, project, and collaborates with ORNL computational physicist David Green. FERMI applies fission platforms to fusion reactor design. Credit: Commonwealth Fusion Systems and Colby Earles/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory expertise in fission and fusion has come together to form a new collaboration, the Fusion Energy Reactor Models Integrator, or FERMI

Spin chains in a quantum system undergo a collective twisting motion as the result of quasiparticles clustering together. Demonstrating this KPZ dynamics concept are pairs of neighboring spins, shown in red, pointing upward in contrast to their peers, in blue, which alternate directions. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

Using complementary computing calculations and neutron scattering techniques, researchers from the Department of Energy’s Oak Ridge and Lawrence Berkeley national laboratories and the University of California, Berkeley, discovered the existence of an elusive type of spin dynamics in a quantum mechanical system.

Neutron scattering experiments show electric charges, shown in red, blue and grey, in the SARS-CoV-2 main protease site where telaprevir binds to the structure. The experiments provide critical data for the design of small-molecule drugs to treat COVID-19. Credit: Jill Hemman and Michelle Lehman/ORNL, U.S. Dept. of Energy

Scientists have found new, unexpected behaviors when SARS-CoV-2 – the virus that causes COVID-19 – encounters drugs known as inhibitors, which bind to certain components of the virus and block its ability to reproduce.  

ORNL is designing a neutronic research engine to evaluate new materials and designs for advanced vehicles using the facilities at the Spallation Neutron Source at ORNL. Credit: Jill Hemman/ORNL, U.S. Dept of Energy, and  Southwest Research Institute.

In the quest for advanced vehicles with higher energy efficiency and ultra-low emissions, ORNL researchers are accelerating a research engine that gives scientists and engineers an unprecedented view inside the atomic-level workings of combustion engines in real time.

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.

Fuel pellets sometimes degrade to a sandlike consistency and can disperse into the reactor core if a rod’s cladding bursts. ORNL researchers are studying how often this happens and what impact it has, in order to let reactors operate as long as possible without increasing risk.

A developing method to gauge the occurrence of a nuclear reactor anomaly has the potential to save millions of dollars.

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.

 Using the ASGarD mathematical framework, scientists can model and visualize the electric fields, shown as arrows, circling around magnetic fields that are colorized to represent field magnitude of a fusion plasma. Credit: David Green/ORNL

Combining expertise in physics, applied math and computing, Oak Ridge National Laboratory scientists are expanding the possibilities for simulating electromagnetic fields that underpin phenomena in materials design and telecommunications.

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.