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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.

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.

Earth Day

Tackling the climate crisis and achieving an equitable clean energy future are among the biggest challenges of our time. 

A traffic-camera view of Shallowford Road, one of the more than 350 intersections in Chattanooga studied by Oak Ridge National Laboratory researchers.

The daily traffic congestion along the streets and interstate lanes of Chattanooga could be headed the way of the horse and buggy with help from ORNL researchers.

SmartTruck, a small business in Greenville, SC, recently completed its first detailed unsteady analysis using modeling and simulation at the OLCF and became the first company to request certification from the EPA through CFD. Image Credit: SmartTruck

Long-haul tractor trailers, often referred to as “18-wheelers,” transport everything from household goods to supermarket foodstuffs across the United States every year. According to the Bureau of Transportation Statistics, these trucks moved more than 10 billion tons of goods—70.6 ...