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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.

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.

The Perseverance rover

On Feb. 18, the world will be watching as NASA’s Perseverance rover makes its final descent into Jezero Crater on the surface of Mars. Mars 2020 is the first NASA mission that uses plutonium-238 produced at the Department of Energy’s Oak Ridge National Laboratory.

The researchers embedded a programmable model into a D-Wave quantum computer chip. Credit: D-Wave

Since the 1930s, scientists have been using particle accelerators to gain insights into the structure of matter and the laws of physics that govern our world.

ORNL’s Marcel Demarteau inspects experiments along Neutrino Alley at the Spallation Neutron Source, which makes neutrinos as a byproduct. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Marcel Demarteau is director of the Physics Division at the Department of Energy’s Oak Ridge National Laboratory. For topics from nuclear structure to astrophysics, he shapes ORNL’s physics research agenda.

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.

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.

 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.

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.

Yanwen Zhang

In the search to create materials that can withstand extreme radiation, Yanwen Zhang, a researcher at the Department of Energy’s Oak Ridge National Laboratory, says that materials scientists must think outside the box.