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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.

Jiafu Mao, left, and Yaoping Wang discuss their analysis of urban and rural vegetation resilience across the United States in the EVEREST visualization lab at ORNL. Credit: Carlos Jones, ORNL/U.S. Dept. of Energy

Scientists at ORNL completed a study of how well vegetation survived extreme heat events in both urban and rural communities across the country in recent years. The analysis informs pathways for climate mitigation, including ways to reduce the effect of urban heat islands.

ORNL researcher Felicia Gilliland loads experiment samples into position for the newly installed UR5E robotic arm at the BIO-SANS instrument. The industrial-grade robot changes samples automatically, reducing the need for human assistance and improving sample throughput. Credit: Jeremy Rumsey/ORNL, U.S. Dept. of Energy

The BIO-SANS instrument, located at Oak Ridge National Laboratory’s High Flux Isotope Reactor, is the latest neutron scattering instrument to be retrofitted with state-of-the-art robotics and custom software. The sophisticated upgrade quadruples the number of samples the instrument can measure automatically and significantly reduces the need for human assistance.

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 Linac Coherent Light Source at DOE’s SLAC National Accelerator Laboratory in California reveals the structural dynamics of atoms and molecules through X-ray snapshots at ultrafast timescales. Pictured here is the LCLS-II tunnel. Credit: Jim Gensheimer/SLAC National Accelerator Laboratory

Plans to unite the capabilities of two cutting-edge technological facilities funded by the Department of Energy’s Office of Science promise to usher in a new era of dynamic structural biology. Through DOE’s Integrated Research Infrastructure, or IRI, initiative, the facilities will complement each other’s technologies in the pursuit of science despite being nearly 2,500 miles apart.

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. 

ORNL researchers modeled how hurricane cloud cover would affect solar energy generation as a storm followed 10 possible trajectories over the Caribbean and Southern U.S. Credit: Andy Sproles/ ORNL,U.S. Dept. of Energy

ORNL researchers modeled how hurricane cloud cover would affect solar energy generation as a storm followed 10 possible trajectories over the Caribbean and Southern U.S.

ORNL researchers are developing algorithms and multilayered communication and control systems that make electric vehicle chargers operate more reliably, even if there is a voltage drop or disturbance in the electric grid. Credit: Andy Sproles/ORNL, US Dept. of Energy

ORNL researchers are working to make EV charging more resilient by developing algorithms to deal with both internal and external triggers of charger failure. This will help charging stations remain available to traveling EV drivers, reducing range anxiety.

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Two different teams that included Oak Ridge National Laboratory employees were honored Feb. 20 with Secretary’s Honor Achievement Awards from the Department of Energy. This is DOE's highest form of employee recognition. 

New system combines human, artificial intelligence to improve experimentation

To capitalize on AI and researcher strengths, scientists developed a human-AI collaboration recommender system for improved experimentation performance.