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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.

: 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.

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.

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.

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.