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The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE

A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules. 

Scientists at Oak Ridge National Laboratory contributed to several chapters of the Fifth National Climate Assessment, providing expertise in complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling. Credit: ORNL, U.S. Dept. of Energy

Scientists at ORNL used their knowledge of complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling to inform the nation’s latest National Climate Assessment, which draws attention to vulnerabilities and resilience opportunities in every region of the country.

Frontier’s exascale power enables the Energy, Exascale and Earth System Model-Multiscale Modeling Framework — or E3SM-MMF — project to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Mark Taylor/Sandia National Laboratories, U.S. Dept. of Energy

The world’s first exascale supercomputer will help scientists peer into the future of global climate change and open a window into weather patterns that could affect the world a generation from now.

Director of ORNL’s AI Initiative Prasanna Balaprakash addresses attendees at the Generative AI for ORNL Science Workshop. Credit: ORNL, U.S. Dept. of Energy

The Department of Energy’s Oak Ridge National Laboratory hosted its Smoky Mountains Computational Science and Engineering Conference for the first time in person since the COVID pandemic broke in 2020. The conference, which celebrated its 20th consecutive year, took place at the Crowne Plaza Hotel in downtown Knoxville, Tenn., in late August.

Chathuddasie Amarasinghe explains her research poster, “Using Microfluidic Mother Machine Devices to Study the Correlated Dynamics of Ribosomes and Chromosomes in Escherichia Coli.” Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Speakers, scientific workshops, speed networking, a student poster showcase and more energized the Annual User Meeting of the Department of Energy’s Center for Nanophase Materials Sciences, or CNMS, Aug. 7-10, near Market Square in downtown Knoxville, Tennessee.

Students from UC Merced collect water samples at Guadalupe Reservoir in Santa Clara County, California. Credit: UC Merced

Environmental scientists at ORNL have recently expanded collaborations with minority-serving institutions and historically Black colleges and universities across the nation to broaden the experiences and skills of student scientists while bringing fresh insights to the national lab’s missions.

SmartTruck, a small business in Greenville, SC, recently completed its first detailed unsteady analysis using modeling and simulation at the OLCF and became the first company to request certification from the EPA through CFD. Image Credit: SmartTruck

Long-haul tractor trailers, often referred to as “18-wheelers,” transport everything from household goods to supermarket foodstuffs across the United States every year. According to the Bureau of Transportation Statistics, these trucks moved more than 10 billion tons of goods—70.6 ...

Schematic drawing of the boron nitride cell. Credit: University of Illinois at Chicago.

A new microscopy technique developed at the University of Illinois at Chicago allows researchers to visualize liquids at the nanoscale level — about 10 times more resolution than with traditional transmission electron microscopy — for the first time. By trapping minute amounts of...

From left, ORNL’s Rick Lowden, Chris Bryan and Jim Kiggans were troubled that target discs of a material needed to produce Mo-99 using an accelerator could deform after irradiation and get stuck in their holder.

“Made in the USA.” That can now be said of the radioactive isotope molybdenum-99 (Mo-99), last made in the United States in the late 1980s. Its short-lived decay product, technetium-99m (Tc-99m), is the most widely used radioisotope in medical diagnostic imaging. Tc-99m is best known ...

Arjun Shankar

The field of “Big Data” has exploded in the blink of an eye, growing exponentially into almost every branch of science in just a few decades. Sectors such as energy, manufacturing, healthcare and many others depend on scalable data processing and analysis for continued in...