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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. 

A new nanoscience study led by an ORNL quantum researcher takes a big-picture look at how scientists study materials at the smallest scales. Credit: Getty Images

A new nanoscience study led by a researcher at ORNL takes a big-picture look at how scientists study materials at the smallest scales.

: 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

An Oak Ridge National Laboratory study compared classical computing techniques for compressing data with potential quantum compression techniques. Credit: Getty Images

A study led by Oak Ridge National Laboratory researchers identifies a new potential application in quantum computing that could be part of the next computational revolution.

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

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.

An Oak Ridge National Laboratory study used satellites to transmit light particles, or photons, as part of a more efficient, secure quantum network. Credit: ORNL, U.S. Dept. of Energy

A study by Oak Ridge National Laboratory researchers has demonstrated how satellites could enable more efficient, secure quantum networks.

Researchers captured atomic-level insights on the rare-earth mineral monazite to inform future design of flotation collector molecules, illustrated above, that can aid in the recovery of critical materials. Credit: Chad Malone/ORNL, U.S. Dept. of Energy

Critical Materials Institute researchers at Oak Ridge National Laboratory and Arizona State University studied the mineral monazite, an important source of rare-earth elements, to enhance methods of recovering critical materials for energy, defense and manufacturing applications.

Solar panels funded by the Honnold Foundation are installed in Adjuntas, Puerto Rico. Credit: Fabio Andrade

When Hurricane Maria battered Puerto Rico in 2017, winds snapped trees and destroyed homes, while heavy rains transformed streets into rivers. But after the storm passed, the human toll continued to grow as residents struggled without electricity for months. Five years later, power outages remain long and frequent.

Researchers used quantum Monte Carlo calculations to accurately render the structure and electronic properties of germanium selenide, a semiconducting nanomaterial. Credit: Paul Kent/ORNL, U.S. Dept. of Energy

A multi-lab research team led by ORNL's Paul Kent is developing a computer application called QMCPACK to enable precise and reliable predictions of the fundamental properties of materials critical in energy research.

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.