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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.

The transportation and industrial sectors together account for more than 50% of the country’s carbon footprint. Defossilization could help reduce new emissions from these and other difficult-to-electrify segments of the U.S. economy.

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. 

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.

ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs. 

Alyssa Carrell is an ORNL ecologist studying how plant-microbe relationships can build resilience in natural ecosystems vulnerable to climate change. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Alyssa Carrell started her science career studying the tallest inhabitants in the forest, but today is focused on some of its smallest — the microbial organisms that play an outsized role in plant health. 

Ilenne Del Valle is merging her expertise in synthetic biology and environmental science to develop new technologies to help scientists better understand and engineer ecosystems for climate resilience. Credit: Carlos Jones/ORNL, U.S. Dept of Energy

Ilenne Del Valle is merging her expertise in synthetic biology and environmental science to develop new technologies to help scientists better understand and engineer ecosystems for climate resilience. 

ORNL’s Tomás Rush examines a culture as part of his research into the plant-fungus relationship that can help or hinder ecosystem health. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

New computational framework speeds discovery of fungal metabolites, key to plant health and used in drug therapies and for other uses. 
 

Caption: Jaswinder Sharma makes battery coin cells with a lightweight current collector made of thin layers of aligned carbon fibers in a polymer with carbon nanotubes. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Electric vehicles can drive longer distances if their lithium-ion batteries deliver more energy in a lighter package. A prime weight-loss candidate is the current collector, a component that often adds 10% to the weight of a battery cell without contributing energy.

ORNL bioscience researcher Jerry Tuskan had an early interest in plant genetics.

It’s been 10 years since the Department of Energy first established a BioEnergy Science Center (BESC) at Oak Ridge National Laboratory, and researcher Gerald “Jerry” Tuskan has used that time and the lab’s and center’s resources and tools to make good on his college dreams of usi...