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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.

From left, J.D. Rice, Trevor Michelson and Chris Seck look at a monitor in Seck’s lab. The three are wearing safety glasses to protect against the laser beams used by the scanning vibrometer, which is helping Seck quantify vibration of an appliance in his lab. Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL scientists are working on a project to engineer and develop a cryogenic ion trap apparatus to simulate quantum spin liquids, a key research area in materials science and neutron scattering studies.

Hood Whitson, chief executive officer of Element3, and Cynthia Jenks, associate laboratory director for the Physical Sciences Directorate, shake hands during the Element3 licensing event at ORNL on May 3, 2024. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

A collection of seven technologies for lithium recovery developed by scientists from ORNL has been licensed to Element3, a Texas-based company focused on extracting lithium from wastewater produced by oil and gas production. 

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.

Chengyun Hua

The Quantum Voices series is designed to share the stories of the quantum researchers and technical experts behind the Quantum Science Center’s past, present and future accomplishments. Chengyun Hua is highlighted for this edition, talking about her role in the Quantum Science Center. 

Researchers relied on support from ORNL’s Quantum Computing User Program to simulate a key quantum state at one of the largest scales reported. The findings could mark a step toward improving quantum simulations.  Credit: Getty Images

Researchers simulated a key quantum state at one of the largest scales reported, with support from the Quantum Computing User Program, or QCUP, at ORNL. 

Rigoberto Advincula has been elected to the to the AIMBE College of Fellows. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Rigoberto “Gobet” Advincula, a scientist with joint appointments at ORNL and the University of Tennessee, has been named a Fellow of the American Institute for Medical and Biological Engineering.

ORNL researchers to present wireless charging technology in OTT’s Discovery Series webinar

ORNL’s Omer Onar and Mostak Mohammad will present on ORNL's wireless charging technology in DOE’s Office of Technology Transitions National Lab Discovery Series Tuesday, April 30. 

 

 

An international team using neutrons set the first benchmark (one nanosecond) for a polymer-electrolyte and lithium-salt mixture. Findings could produce safer, more powerful lithium batteries. Credit: Phoenix Pleasant/ORNL

An international team using neutrons set the first benchmark (one nanosecond) for a polymer-electrolyte and lithium-salt mixture. Findings could produce safer, more powerful lithium batteries.