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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.

Joon-Seok Kim Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Researchers at ORNL are using a machine-learning model to answer ‘what if’ questions stemming from major events that impact large numbers of people. By simulating an event, such as extreme weather, researchers can see how people might respond to adverse situations, and those outcomes can be used to improve emergency planning.

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.

Quietly making noise: Measuring differential privacy could balance meaningful analytics and identity protection

To balance personal safety and research innovation, researchers at ORNL are employing a mathematical technique known as differential privacy to provide data privacy guarantees.

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.

The AI for Energy Report provides a framework for using AI to accelerate decarbonization of the U.S. economy. Credit: Argonne National Laboratory

Groundbreaking report provides ambitious framework for accelerating clean energy deployment while minimizing risks and costs in the face of climate change.

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. 

Oak Ridge National Laboratory’s Sachin Nimbalkar, left, and Thomas Wenning guide energy-saving training activities for industry during Energy Bootcamps, hosted by DOE’s Better Plants program. Credit: ORNL, U.S. Dept. of Energy

Helping hundreds of manufacturing industries and water-power facilities across the U.S. increase energy efficiency requires a balance of teaching and training, blended with scientific guidance and technical expertise. It’s a formula for success that ORNL researchers have been providing to DOE’s Better Plants Program for more than a decade.

Shift Thermal co-founders Mitchell Ishamel, left, and Levon Atoyan stand in front of one of the company’s ice thermal energy storage modules, which will be submitted to independent measurement and validation testing in May. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Shift Thermal, a member of Innovation Crossroads’ first cohort of fellows, is commercializing advanced ice thermal energy storage for HVAC, shifting the cooling process to be more sustainable, cost-effective and resilient. Shift Thermal wants to enable a lower-cost, more-efficient thermal energy storage method to provide long-duration resilient cooling when the electric grid is down.