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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.

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To better predict long-term flooding risk, scientists at the Department of Energy’s Oak Ridge National Laboratory developed a 3D modeling framework that captures the complex dynamics of water as it flows across the landscape. The framework seeks to provide valuable insights into which communities are most vulnerable as the climate changes, and was developed for a project that’s assessing climate risk and mitigation pathways for an urban area along the Southeast Texas coast.

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.

Digital image of molecules would look like. There are 10 clusters of these shapes in grey, red and blue with a teal blue background

Oak Ridge National Laboratory scientists have developed a method leveraging artificial intelligence to accelerate the identification of environmentally friendly solvents for industrial carbon capture, biomass processing, rechargeable batteries and other applications.

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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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In May, the Department of Energy’s Oak Ridge and Brookhaven national laboratories co-hosted the 15th annual International Particle Accelerator Conference, or IPAC, at the Music City Center in Nashville, Tennessee. 

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Erin Webb, lead for the Bioresources Science and Engineering group at Oak Ridge National Laboratory, has been elected a Fellow of the American Society of Agricultural and Biological Engineers — the society’s highest honor. 

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John Lagergren, a staff scientist in Oak Ridge National Laboratory’s Plant Systems Biology group, is using his expertise in applied math and machine learning to develop neural networks to quickly analyze the vast amounts of data on plant traits amassed at ORNL’s Advanced Plant Phenotyping Laboratory.

ORNL researcher Louise Evans is working to ensure safeguards approaches and verification technologies are integrated early in the design process of advanced reactor technologies. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Researchers tackling national security challenges at ORNL are upholding an 80-year legacy of leadership in all things nuclear. Today, they’re developing the next generation of technologies that will help reduce global nuclear risk and enable safe, secure, peaceful use of nuclear materials, worldwide.

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.