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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.

ORNL will collaborate with Fairbanks Morse Defense on decarbonization efforts to develop alternative fuel technologies for marine engines. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL, the Department of Energy’s largest multidisciplinary laboratory, and Fairbanks Morse Defense, a portfolio company of Arcline Investment Management, have entered into a Memorandum of Understanding to collaborate on the development and integration of alternative fuel technologies aimed at reducing the marine engine’s reliance on fossil fuels. 

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

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.

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.

ORNL’s award-winning ultraclean condensing high-efficiency natural gas furnace features an affordable add-on technology that can remove more than 99.9% of acidic gases and other emissions. The technology can also be added to other natural gas-driven equipment. Credit: Jill Hemman/ORNL

Natural gas furnaces not only heat your home, they also produce a lot of pollution. Even modern high-efficiency condensing furnaces produce significant amounts of corrosive acidic condensation and unhealthy levels of nitrogen oxides

Sophie Voisin, an ORNL software engineer, was part of a team that won a 2014 R&D 100 Award for work on Intelligent Software for a Personalized Modeling of Expert Opinions, Decisions and Errors in Visual Examination Tasks. Credit: Jason Richards/ORNL, U.S. Dept. of Energy

Cameras see the world differently than humans. Resolution, equipment, lighting, distance and atmospheric conditions can impact how a person interprets objects on a photo.

Data from different sources are joined on platforms created by ORNL researchers to offer better information for decision makers. Credit: ORNL/Nathan Armistead

When the COVID-19 pandemic stunned the world in 2020, researchers at ORNL wondered how they could extend their support and help