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An AI-generated image representing atoms and artificial neural networks. Credit: Maxim Ziatdinov, ORNL

Researchers at ORNL have developed a machine-learning inspired software package that provides end-to-end image analysis of electron and scanning probe microscopy images.

Oak Ridge National Laboratory led a team of scientists to design a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and future virus outbreaks. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory designed a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and other viral diseases.

Shown here is the structure of the NEMO protein. A team from ORNL conducted extensive molecular dynamics work on Summit by using both quantum mechanics and machine-learning methods to look at the binding affinity of NEMO and 3CLpro in humans and other species and to consider the structural models derived from the sequences of other coronaviruses. Image courtesy Nature Communications, Dan Jacobson/ORNL.

A new paper published in Nature Communications adds further evidence to the bradykinin storm theory of COVID-19’s viral pathogenesis — a theory that was posited two years ago by a team of researchers at the Department of Energy’s Oak Ridge National Laboratory.

Scattering-type scanning near-field optical microscopy, a nondestructive technique in which the tip of the probe of a microscope scatters pulses of light to generate a picture of a sample, allowed the team to obtain insights into the composition of plant cell walls. Credit: Ali Passian/ORNL, U.S. Dept. of Energy

To optimize biomaterials for reliable, cost-effective paper production, building construction, and biofuel development, researchers often study the structure of plant cells using techniques such as freezing plant samples or placing them in a vacuum.

Frontier has arrived, and ORNL is preparing for science on Day One. Credit: Carlos Jones/ORNL, Dept. of Energy

The Frontier supercomputer at the Department of Energy’s Oak Ridge National Laboratory earned the top ranking today as the world’s fastest on the 59th TOP500 list, with 1.1 exaflops of performance. The system is the first to achieve an unprecedented level of computing performance known as exascale, a threshold of a quintillion calculations per second.

A smart approach to microscopy and imaging developed at Oak Ridge National Laboratory could drive discoveries in materials for future technologies. Credit: Adam Malin/ORNL, U.S. Dept. of Energy

Researchers at ORNL are teaching microscopes to drive discoveries with an intuitive algorithm, developed at the lab’s Center for Nanophase Materials Sciences, that could guide breakthroughs in new materials for energy technologies, sensing and computing.

An ORNL-led team studied the SARS-CoV-2 spike protein in the trimer state, shown here, to pinpoint structural transitions that could be disrupted to destabilize the protein and negate its harmful effects. Credit: Debsindhu Bhowmik/ORNL, U.S. Dept. of Energy

To explore the inner workings of severe acute respiratory syndrome coronavirus 2, or SARS-CoV-2, researchers from ORNL developed a novel technique.

Miaofang Chi, a scientist in the Center for Nanophase Materials Sciences, received the 2021 Director’s Award for Outstanding Individual Accomplishment in Science and Technology. Credit: ORNL, U.S. Dept. of Energy

A world-leading researcher in solid electrolytes and sophisticated electron microscopy methods received Oak Ridge National Laboratory’s top science honor today for her work in developing new materials for batteries. The announcement was made during a livestreamed Director’s Awards event hosted by ORNL Director Thomas Zacharia.

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.

ORNL’s Sergei Kalinin and Rama Vasudevan (foreground) use scanning probe microscopy to study bulk ferroelectricity and surface electrochemistry -- and generate a lot of data. Credit: Jason Richards/ORNL, U.S. Dept. of Energy

At the Department of Energy’s Oak Ridge National Laboratory, scientists use artificial intelligence, or AI, to accelerate the discovery and development of materials for energy and information technologies.