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Researchers conduct largest, most accurate molecular dynamics simulations to date of two million correlated electrons using Frontier, the world’s fastest supercomputer. The simulation, which exceed an exaflop using full double precision, is 1,000 times greater in size and speed than any quantum chemistry simulation of it's kind.

Arial view of the Atchafalaya Basin

In the wet, muddy places where America’s rivers and lands meet the sea, scientists from the Department of Energy’s Oak Ridge National Laboratory are unearthing clues to better understand how these vital landscapes are evolving under climate change.

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Bill Partridge, a recently retired distinguished researcher at the U.S. Department of Energy’s Oak Ridge National Laboratory, was recognized by DOE’s Vehicle Technologies Office, or VTO, for leading world-class research in transportation throughout his 25-year career. 

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Researchers used quantum simulations to obtain new insights into the nature of neutrinos — the mysterious subatomic particles that abound throughout the universe — and their role in the deaths of massive stars.

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Jinghui Yuan, an R&D staff member in the Applied Research for Mobility Systems group at the Department of Energy’s Oak Ridge National Laboratory, has been elevated to a senior member of the Institute of Electrical and Electronics Engineers.

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Robert Wagner, associate laboratory director for ORNL's Energy Science and Technology Directorate, has been selected to receive the George Westinghouse Gold Medal from the American Society of Mechanical Engineers, or ASME. The award recognizes his work to advance state-of-the-art clean power generation systems through research on combustion, fuel technologies and controls. 

ORNL researchers have teamed up with other national labs to develop a free platform called Open Energy Data Initiative Solar Systems Integration Data and Modeling to better analyze the behavior of electric grids incorporating many solar projects. Credit: Andy Sproles/ORNL, U.S. Dept. of Energy

ORNL researchers have teamed up with other national labs to develop a free platform called Open Energy Data Initiative Solar Systems Integration Data and Modeling to better analyze the behavior of electric grids incorporating many solar projects. 

Frontier supercomputer sets new standard in molecular simulation

When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations. In the latest milestone, a team of engineers and scientists used Frontier to simulate a system of nearly half a trillion atoms — the largest system ever modeled and more than 400 times the size of the closest competition.

Study reveals flaw in long-accepted approximation used in water simulations

Computational scientists at ORNL have published a study that questions a long-accepted factor in simulating the molecular dynamics of water: the 2 femtosecond time step. According to the team’s findings, using anything greater than a 0.5 femtosecond time step can introduce errors in both the dynamics and thermodynamics when simulating water using a rigid-body description.

The EPA approved the registration and use of a renewable gasoline blendstock developed by Vertimass LLC and Oak Ridge National Laboratory that can significantly reduce vehicle emissions when added to conventional fuels. Credit: Adam Malin/ORNL, U.S. Dept. of Energy

The U.S. Environmental Protection Agency has approved the registration and use of a renewable gasoline blendstock developed by Vertimass LLC and ORNL that can significantly reduce the emissions profile of vehicles when added to conventional fuels.