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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.

Using quantum Monte Carlo methods, the researchers simulated bulk VO2. Yellow and turquoise represent changes in electron density between the excited and ground states of a compound composed of oxygen, in red, and vanadium, in blue, which allowed them to evaluate how an oxygen vacancy, in white, can alter the compound’s properties. Credit: Panchapakesan Ganesh/ORNL, U.S. Dept. of Energy

Neuromorphic devices — which emulate the decision-making processes of the human brain — show great promise for solving pressing scientific problems, but building physical systems to realize this potential presents researchers with a significant

A material’s spins, depicted as red spheres, are probed by scattered neutrons. Applying an entanglement witness, such as the QFI calculation pictured, causes the neutrons to form a kind of quantum gauge. This gauge allows the researchers to distinguish between classical and quantum spin fluctuations. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

A team led by the U.S. Department of Energy’s Oak Ridge National Laboratory demonstrated the viability of a “quantum entanglement witness” capable of proving the presence of entanglement between magnetic particles, or spins, in a quantum material.

A traffic-camera view of Shallowford Road, one of the more than 350 intersections in Chattanooga studied by Oak Ridge National Laboratory researchers.

The daily traffic congestion along the streets and interstate lanes of Chattanooga could be headed the way of the horse and buggy with help from ORNL researchers.

As part of the Next-Generation Ecosystem Experiments Arctic project, scientists are gathering and incorporating new data about the Alaskan tundra into global models that predict the future of our planet. Credit: ORNL/U.S. Dept. of Energy

Improved data, models and analyses from ORNL scientists and many other researchers in the latest global climate assessment report provide new levels of certainty about what the future holds for the planet 

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.

Deborah Frincke, one of the nation’s preeminent computer scientists and cybersecurity experts, serves as associate laboratory director of ORNL’s National Security Science Directorate. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Deborah Frincke, one of the nation’s preeminent computer scientists and cybersecurity experts, serves as associate laboratory director of ORNL’s National Security Science Directorate. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

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.

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.

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.