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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. 

: The summer school brought students and scientists of all career stages together to share research results and secrets to success in the field of quantum information science. Credit: Yuheng Chen/Purdue University

For the third year in a row, the Quantum Science Center held its signature workforce development event: a comprehensive summer school for students and early-career scientists designed to facilitate conversations and hands-on activities related to

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

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.

Anne Campbell

Anne Campbell, an R&D associate in ORNL’s Materials Science and Technology Division since 2016, has been selected as an associate editor of the Journal of Nuclear Materials.

Yun-Yi Pai works with a closed-cycle dilution refrigerator designed for cryomagnetooptical microscopy at ORNL. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Five National Quantum Information Science Research Centers are leveraging the behavior of nature at the smallest scales to develop technologies for science’s most complex problems.

ORNL’s RapidCure improves lithium-ion electrode production by producing electrodes faster, reducing the energy necessary for manufacturing and eliminating the need for a solvent recycling unit. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Researchers at the Department of Energy’s Oak Ridge National Laboratory and their technologies have received seven 2022 R&D 100 Awards, plus special recognition for a battery-related green technology product.

Travis Humble. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Travis Humble has been named director of the Quantum Science Center headquartered at ORNL. The QSC is a multi-institutional partnership that spans industry, academia and government institutions and is tasked with uncovering the full potential of quantum materials, sensors and algorithms.

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.