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Man in blue shirt and grey pants holds laptop and poses next to a green plant in a lab.

John Lagergren, a staff scientist in Oak Ridge National Laboratory’s Plant Systems Biology group, is using his expertise in applied math and machine learning to develop neural networks to quickly analyze the vast amounts of data on plant traits amassed at ORNL’s Advanced Plant Phenotyping Laboratory.

Frontier supercomputer sets new standard in molecular simulation

When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations. In the latest milestone, a team of engineers and scientists used Frontier to simulate a system of nearly half a trillion atoms — the largest system ever modeled and more than 400 times the size of the closest competition.

ORNL’s Suhas Sreehari explains the algebraic and topological foundations of representation systems, used in generative AI technology such as large language models. Credit: Lena Shoemaker/ORNL, U.S. Dept. of Energy

In the age of easy access to generative AI software, user can take steps to stay safe. Suhas Sreehari, an applied mathematician, identifies misconceptions of generative AI that could lead to unintentionally bad outcomes for a user. 
 

Chelsea Chen, polymer physicist at ORNL, stands in front of an eight-channel potentiostat and temperature chamber used for battery and electrochemical testing. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Chelsea Chen, a polymer physicist at ORNL, is studying ion transport in solid electrolytes that could help electric vehicle battery charges last longer.

Louise Stevenson uses her expertise as an environmental toxicologist to evaluate the effects of stressors such as chemicals and other contaminants on aquatic systems. Credit: Carlos Jones/ORNL, U.S. Dept of Energy

Louise Stevenson uses her expertise as an environmental toxicologist to evaluate the effects of stressors such as chemicals and other contaminants on aquatic systems.

2023 Top Science Achievements at SNS & HFIR

The 2023 top science achievements from HFIR and SNS feature a broad range of materials research published in high impact journals such as Nature and Advanced Materials.

Alex May, pictured above, is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility. Credit: Carlos Jones and Wikimedia Commons, background/ORNL, U.S. Dept. of Energy
Alex May is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility, evaluating datasets developed by computational scientists before they are made public through the OLCF’s Constellation portal for open data exchange.
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. 

ORNL researchers are establishing a digital thread of data, algorithms and workflows to produce a continuously updated model of earth systems.

Digital twins are exactly what they sound like: virtual models of physical reality that continuously update to reflect changes in the real world.

 

A small droplet of water is suspended in midair via an electrostatic levitator that lifts charged particles using an electric field that counteracts gravity. Credit: Iowa State University/ORNL, U.S. Dept. of Energy

How do you get water to float in midair? With a WAND2, of course. But it’s hardly magic. In fact, it’s a scientific device used by scientists to study matter.