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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.

The DEMAND single crystal diffractometer at the High Flux Isotope Reactor, or HFIR, is the latest neutron instrument at the Department of Energy’s Oak Ridge National Laboratory to be equipped with machine learning-assisted software, called ReTIA. Credit: Jeremy Rumsey/ORNL, U.S. Dept. of Energy

Neutron experiments can take days to complete, requiring researchers to work long shifts to monitor progress and make necessary adjustments. But thanks to advances in artificial intelligence and machine learning, experiments can now be done remotely and in half the time.

Neutron scattering experiments at the Spallation Neutron Source revealed how the dynamics between copper and oxygen make a special type of enzyme excel at breaking down biomass. Insights could lead to lowering the cost of biofuel production. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Nonfood, plant-based biofuels have potential as a green alternative to fossil fuels, but the enzymes required for production are too inefficient and costly to produce. However, new research is shining a light on enzymes from fungi that could make biofuels economically viable.

A pure lipid membrane formed using lipid-coated water droplets exhibits long-term potentiation, or LTP, associated with learning and memory, emulating hippocampal LTP observed in the brains of mammals and birds. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

While studying how bio-inspired materials might inform the design of next-generation computers, scientists at ORNL achieved a first-of-its-kind result that could have big implications for both edge computing and human health.

The AI-driven HyperCT platform has three primary points of articulation that can rotate a sample in almost any direction, eliminating the need for human intervention and significantly reducing lengthy experiment times. Credit: Genevieve Martin, ORNL/U.S. Dept. of Energy

Oak Ridge National Laboratory researchers are developing a first-of-its-kind artificial intelligence device for neutron scattering called Hyperspectral Computed Tomography, or HyperCT.

An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

An ORNL-led team comprising researchers from multiple DOE national laboratories is using artificial intelligence and computational screening techniques – in combination with experimental validation – to identify and design five promising drug therapy approaches to target the SARS-CoV-2 virus.

ORNL’s Sergei Kalinin and Rama Vasudevan (foreground) use scanning probe microscopy to study bulk ferroelectricity and surface electrochemistry -- and generate a lot of data. Credit: Jason Richards/ORNL, U.S. Dept. of Energy

At the Department of Energy’s Oak Ridge National Laboratory, scientists use artificial intelligence, or AI, to accelerate the discovery and development of materials for energy and information technologies.

Neutron scattering experiments show electric charges, shown in red, blue and grey, in the SARS-CoV-2 main protease site where telaprevir binds to the structure. The experiments provide critical data for the design of small-molecule drugs to treat COVID-19. Credit: Jill Hemman and Michelle Lehman/ORNL, U.S. Dept. of Energy

Scientists have found new, unexpected behaviors when SARS-CoV-2 – the virus that causes COVID-19 – encounters drugs known as inhibitors, which bind to certain components of the virus and block its ability to reproduce.  

The first neutron structure of the SARS-CoV-2 main protease enzyme revealed unexpected electrical charges in the amino acids cysteine (negative) and histidine (positive), providing key data about the virus’s replication. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

To better understand how the novel coronavirus behaves and how it can be stopped, scientists have completed a three-dimensional map that reveals the location of every atom in an enzyme molecule critical to SARS-CoV-2 reproduction.

Enzyme activity during organophosphate poisoning

Pick your poison. It can be deadly for good reasons such as protecting crops from harmful insects or fighting parasite infection as medicine — or for evil as a weapon for bioterrorism. Or, in extremely diluted amounts, it can be used to enhance beauty.