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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.

ORNL’s Ben Sulman and Shannon Jones at a mangrove habitat in Port Aransas, Texas

To better understand important dynamics at play in flood-prone coastal areas, Oak Ridge National Laboratory scientists working on simulations of Earth’s carbon and nutrient cycles paid a visit to experimentalists gathering data in a Texas wetland.

Xiaohan Yang is using his expertise in synthetic biology and capabilities like the Advanced Plant Phenotyping Laboratory at Oak Ridge National Laboratory to accelerate the development of drought-tolerant, fast-growing bioenergy crops suited for conversion into clean jet fuels. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Scientist Xiaohan Yang’s research at the Department of Energy’s Oak Ridge National Laboratory focuses on transforming plants to make them better sources of renewable energy and carbon storage.

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.

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.

 Illustration of a laser-based analytical method to accelerate understanding of critical plant and soil properties with the aim of co-optimizing bioenergy plant growth and soil carbon storage

Oak Ridge National Laboratory researchers recently demonstrated use of a laser-based analytical method to accelerate understanding of critical plant and soil properties that affect bioenergy plant growth and soil carbon storage.

Jerry Parks leads the Molecular Biophysics group at ORNL, leveraging his expertise in computational chemistry and bioinformatics to unlock the inner workings of proteins—molecules that govern cellular structure and function and are essential to life. Credit: Genevieve Martin, ORNL/U.S. Dept. of Energy

When reading the novel Jurassic Park as a teenager, Jerry Parks found the passages about gene sequencing and supercomputers fascinating, but never imagined he might someday pursue such futuristic-sounding science.

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.