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The ORNL researchers’ findings may enable better detection of uranium tetrafluoride hydrate, a little-studied byproduct of the nuclear fuel cycle, and better understanding of how environmental conditions influence the chemical behavior of fuel cycle materials. Credit: Kevin Pastoor/Colorado School of Mines

ORNL researchers used the nation’s fastest supercomputer to map the molecular vibrations of an important but little-studied uranium compound produced during the nuclear fuel cycle for results that could lead to a cleaner, safer world.

Oak Ridge National Laboratory researchers used an invertible neural network, a type of artificial intelligence that mimics the human brain, to select the most suitable materials for desired properties, such as flexibility or heat resistance, with high chemical accuracy. The study could lead to more customizable materials design for industry.

A study led by researchers at ORNL could help make materials design as customizable as point-and-click.

This image illustrates lattice distortion, strain, and ion distribution in metal halide perovskites, which can be induced by external stimuli such as light and heat. Image credit: Stephen Jesse/ORNL

A study by researchers at the ORNL takes a fresh look at what could become the first step toward a new generation of solar batteries.

The Energy Exascale Earth System Model project reliably simulates aspects of earth system variability and projects decadal changes that will critically impact the U.S. energy sector in the future. A new version of the model delivers twice the performance of its predecessor. Credit: E3SM, Dept. of Energy

A new version of the Energy Exascale Earth System Model, or E3SM, is two times faster than an earlier version released in 2018.

Using quantum Monte Carlo methods, the researchers simulated bulk VO2. Yellow and turquoise represent changes in electron density between the excited and ground states of a compound composed of oxygen, in red, and vanadium, in blue, which allowed them to evaluate how an oxygen vacancy, in white, can alter the compound’s properties. Credit: Panchapakesan Ganesh/ORNL, U.S. Dept. of Energy

Neuromorphic devices — which emulate the decision-making processes of the human brain — show great promise for solving pressing scientific problems, but building physical systems to realize this potential presents researchers with a significant