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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.

Chapman recognized for work as peer reviewer

Joseph Chapman, a research scientist in quantum communications at ORNL, was given the Physical Review Applied Reviewer Excellence 2024 award for his work as a peer reviewer for the journal Physical Review Applied.

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.

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. 

New research predicts peak groundwater extraction for key basins around the globe by the year 2050. The map indicates groundwater storage trends for Earth’s 37 largest aquifers using data from the NASA Jet Propulsion Laboratory GRACE satellite. Credit: NASA.

Groundwater withdrawals are expected to peak in about one-third of the world’s basins by 2050, potentially triggering significant trade and agriculture shifts, a new analysis finds. 

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 engineer Canan Karakaya uses computational modeling to design and improve chemical reactors and how they are operated to convert methane, carbon dioxide, ammonia or ethanol into higher-value chemicals or energy-dense fuels. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Canan Karakaya, a R&D Staff member in the Chemical Process Scale-Up group at ORNL, was inspired to become a chemical engineer after she experienced a magical transformation that turned ammonia gas into ammonium nitrate, turning a liquid into white flakes gently floating through the air. 

Representatives from several local partners attended a ribbon-cutting for the new SkyNano facility in Louisville, Tennesse. Front row, from left to right are Deborah Crawford, vice chancellor for research at the University of Tennessee, Knoxville; Tom Rogers, president and chief executive officer of the UT Research Park; Lindsey Cox, CEO of LaunchTN; Cary Pint, SkyNano co-founder and chief technology officer; Susan Hubbard, ORNL deputy for science and technology; Anna Douglas, SkyNano co-founder and CEO; Ch

SkyNano, an Innovation Crossroads alumnus, held a ribbon-cutting for their new facility. SkyNano exemplifies using DOE resources to build a successful clean energy company, making valuable carbon nanotubes from waste CO2. 

: ORNL climate modeling expertise contributed to an AI-backed model that assesses global emissions of ammonia from croplands now and in a warmer future, while identifying mitigation strategies. This map highlights croplands around the world. Credit: U.S. Geological Survey

ORNL climate modeling expertise contributed to a project that assessed global emissions of ammonia from croplands now and in a warmer future, while also identifying solutions tuned to local growing conditions.