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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

SmartTruck, a small business in Greenville, SC, recently completed its first detailed unsteady analysis using modeling and simulation at the OLCF and became the first company to request certification from the EPA through CFD. Image Credit: SmartTruck

Long-haul tractor trailers, often referred to as “18-wheelers,” transport everything from household goods to supermarket foodstuffs across the United States every year. According to the Bureau of Transportation Statistics, these trucks moved more than 10 billion tons of goods—70.6 ...

ORNL Director Thomas Zacharia (center, seated) visited Robertsville Middle School to present a check in support of the school’s CubeSat efforts.

Last November a team of students and educators from Robertsville Middle School in Oak Ridge and scientists from Oak Ridge National Laboratory submitted a proposal to NASA for their Cube Satellite Launch Initiative in hopes of sending a student-designed nanosatellite named RamSat into...

ORNL researchers Todd Toops, Charles Finney, and Melanie DeBusk (left to right) hold an example of a particulate filter used to collect harmful emissions in vehicles.

Researchers are looking to neutrons for new ways to save fuel during the operation of filters that clean the soot, or carbon and ash-based particulate matter, emitted by vehicles. A team of researchers from the Energy and Transportation Science Division at the Department of En...

Arjun Shankar

The field of “Big Data” has exploded in the blink of an eye, growing exponentially into almost every branch of science in just a few decades. Sectors such as energy, manufacturing, healthcare and many others depend on scalable data processing and analysis for continued in...