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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 group of ORNL staff standing in a long corridor with flags hanging from the ceiling

For 25 years, scientists at Oak Ridge National Laboratory have used their broad expertise in human health risk assessment, ecology, radiation protection, toxicology and information management to develop widely used tools and data for the U.S. Environmental Protection Agency as part of the agency’s Superfund program.

Steven Hamilton, an R&D scientist in the HPC Methods for Nuclear Applications group at ORNL, leads the ExaSMR project. ExaSMR was developed to run on the Oak Ridge Leadership Computing Facility’s exascale-class supercomputer, Frontier. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

The Exascale Small Modular Reactor effort, or ExaSMR, is a software stack developed over seven years under the Department of Energy’s Exascale Computing Project to produce the highest-resolution simulations of nuclear reactor systems to date. Now, ExaSMR has been nominated for a 2023 Gordon Bell Prize by the Association for Computing Machinery and is one of six finalists for the annual award, which honors outstanding achievements in high-performance computing from a variety of scientific domains.  

Madhavi Martin portrait image

Madhavi Martin brings a physicist’s tools and perspective to biological and environmental research at the Department of Energy’s Oak Ridge National Laboratory, supporting advances in bioenergy, soil carbon storage and environmental monitoring, and even helping solve a murder mystery.

Mirko Musa was always fascinated by the power of rivers, specifically how these mighty waterways sculpt landscapes. Now, as a water power researcher, he’s finding ways to harness that power and protect rivers at the same time. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Mirko Musa spent his childhood zigzagging his bike along the Po River. The Po, Italy’s longest river, cuts through a lush valley of grain and vegetable fields, which look like a green and gold ocean spreading out from the river’s banks. 

Saubhagya Rathore uses his modeling, hydrology and engineering expertise to improve understanding of the nation’s watersheds to better predict the future climate and to guide resilience strategies. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Growing up exploring the parklands of India where Rudyard Kipling drew inspiration for The Jungle Book left Saubhagya Rathore with a deep respect and curiosity about the natural world. He later turned that interest into a career in environmental science and engineering, and today he is working at ORNL to improve our understanding of watersheds for better climate prediction and resilience.

Researchers Melissa Cregger, left, and Xiaohan Yang examine plants in an ORNL greenhouse where biosensors are installed to accelerate plant transformations. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy.

Nature-based solutions are an effective tool to combat climate change triggered by rising carbon emissions, whether it’s by clearing the skies with bio-based aviation fuels or boosting natural carbon sinks.

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.

Samantha Peters co-designed and conducted experiments using ORNL’s high-performance mass spectrometry techniques to prove that bacteriophages deploy genetic code-switching to overwhelm and destroy host bacteria. Credit: Genevieve Martin, ORNL/U.S. Dept. of Energy

Scientists at ORNL have confirmed that bacteria-killing viruses called bacteriophages deploy a sneaky tactic when targeting their hosts: They use a standard genetic code when invading bacteria, then switch to an alternate code at later stages of

Jack Cahill of ORNL’s Biosciences Division is developing new techniques to view and measure the previously unseen to better understand important chemical processes at play in plant-microbe interactions and in human health. In this photo, Cahill is positioning a rhizosphere-on-a-chip platform for imaging by mass spectrometry. Credit: Carlos Jones/ORNL, U.S. Dept of Energy

John “Jack” Cahill is out to illuminate previously unseen processes with new technology, advancing our understanding of how chemicals interact to influence complex systems whether it’s in the human body or in the world beneath our feet.