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The Frontier supercomputer simulated magnetic responses inside calcium-48, depicted by red and blue spheres. Insights into the nucleus’s fundamental forces could shed light on supernova dynamics.

Frontier simulations provide new insights into calcium-48’s controversial nuclear magnetic excitation

Nuclear physicists at the Department of Energy’s Oak Ridge National Laboratory recently used Frontier, the world’s most powerful supercomputer, to calculate the magnetic properties of calcium-48’s atomic nucleus. 

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

Computational scientists generate molecular datasets at extreme scale

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. 

A small droplet of water is suspended in midair via an electrostatic levitator that lifts charged particles using an electric field that counteracts gravity. Credit: Iowa State University/ORNL, U.S. Dept. of Energy

Iowa State researchers use scientific wand to suspend solutions in midair

How do you get water to float in midair? With a WAND2, of course. But it’s hardly magic. In fact, it’s a scientific device used by scientists to study matter.

Researchers have shown how an all-solid lithium-based electrolyte material can be used to develop fast charging, long-range batteries for electric vehicles that are also safer than conventional designs. Credit: ORNL, U.S. Dept. of Energy

Zeroing in on EV batteries with more storage and faster charging

Currently, the biggest hurdle for electric vehicles, or EVs, is the development of advanced battery technology to extend driving range, safety and reliability.

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

Computing conference kicks off with generative AI workshop

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.

CFM’s RISE open fan engine architecture. Image: GE Aerospace

GE Aerospace runs one of the world’s largest supercomputer simulations to test revolutionary new open fan engine architecture

To support the development of a revolutionary new open fan engine architecture for the future of flight, GE Aerospace has run simulations using the world’s fastest supercomputer capable of crunching data in excess of exascale speed, or more than a quintillion calculations per second.

This image depicts a visualization of an outflow of galactic wind at a single point in time using Cholla. Credit: Evan Schneider/University of Pittsburgh

Simulating a more detailed universe with Frontier

A trio of new and improved cosmological simulation codes was unveiled in a series of presentations at the annual April Meeting of the American Physical Society in Minneapolis.

An AI-generated image representing atoms and artificial neural networks. Credit: Maxim Ziatdinov, ORNL

Deep learning–based data analysis software by ORNL promises to accelerate materials research

Researchers at ORNL have developed a machine-learning inspired software package that provides end-to-end image analysis of electron and scanning probe microscopy images.

Image of outerspace

Catching dark matter in a basement

Few things carry the same aura of mystery as dark matter. The name itself radiates secrecy, suggesting something hidden in the shadows of the Universe.

Oak Ridge National Laboratory led a team of scientists to design a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and future virus outbreaks. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

ORNL-led team designs molecule to disrupt SARS-CoV-2 infection

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory designed a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and other viral diseases.