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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.

Doug Kothe

Doug Kothe has been named associate laboratory director for the Computing and Computational Sciences Directorate at ORNL, effective June 6.

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.

The ORNL researchers’ findings may enable better detection of uranium tetrafluoride hydrate, a little-studied byproduct of the nuclear fuel cycle, and better understanding of how environmental conditions influence the chemical behavior of fuel cycle materials. Credit: Kevin Pastoor/Colorado School of Mines

ORNL researchers used the nation’s fastest supercomputer to map the molecular vibrations of an important but little-studied uranium compound produced during the nuclear fuel cycle for results that could lead to a cleaner, safer world.

An international team of researchers used Summit to model spin, charge and pair-density waves in cuprates, a type of copper alloy, to explore the materials’ superconducting properties. The results revealed new insights into the relationships between these dynamics as superconductivity develops. Credit: Jason Smith/ORNL

A study led by researchers at ORNL used the nation’s fastest supercomputer to close in on the answer to a central question of modern physics that could help conduct development of the next generation of energy technologies.

Mars Rover 2020

More than 50 current employees and recent retirees from ORNL received Department of Energy Secretary’s Honor Awards from Secretary Jennifer Granholm in January as part of project teams spanning the national laboratory system. The annual awards recognized 21 teams and three individuals for service and contributions to DOE’s mission and to the benefit of the nation.

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.

The Energy Exascale Earth System Model project reliably simulates aspects of earth system variability and projects decadal changes that will critically impact the U.S. energy sector in the future. A new version of the model delivers twice the performance of its predecessor. Credit: E3SM, Dept. of Energy

A new version of the Energy Exascale Earth System Model, or E3SM, is two times faster than an earlier version released in 2018.

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.

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.