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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.
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.
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.
Researchers at Oak Ridge National Laboratory have developed free data sets to estimate how much energy any building in the contiguous U.S. will use in 2100. These data sets provide planners a way to anticipate future energy needs as the climate changes.
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.
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.
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.
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.
Scientists at Oak Ridge National Laboratory and six other Department of Energy national laboratories have developed a United States-based perspective for achieving net-zero carbon emissions.
Simulations performed on the Summit supercomputer at ORNL are cutting through that time and expense by helping researchers digitally customize the ideal alloy.