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Oak Ridge National Laboratory researchers used an invertible neural network, a type of artificial intelligence that mimics the human brain, to select the most suitable materials for desired properties, such as flexibility or heat resistance, with high chemical accuracy. The study could lead to more customizable materials design for industry.

A study led by researchers at ORNL could help make materials design as customizable as point-and-click.

This image illustrates lattice distortion, strain, and ion distribution in metal halide perovskites, which can be induced by external stimuli such as light and heat. Image credit: Stephen Jesse/ORNL

A study by researchers at the ORNL takes a fresh look at what could become the first step toward a new generation of solar batteries.

QLAN submit - A team from the U.S. Department of Energy’s Oak Ridge National Laboratory, Stanford University and Purdue University developed and demonstrated a novel, fully functional quantum local area network, or QLAN, to enable real-time adjustments to information shared with geographically isolated systems at ORNL using entangled photons passing through optical fiber. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

A rapidly emerging consensus in the scientific community predicts the future will be defined by humanity’s ability to exploit the laws of quantum mechanics.

An ORNL-led team studied the SARS-CoV-2 spike protein in the trimer state, shown here, to pinpoint structural transitions that could be disrupted to destabilize the protein and negate its harmful effects. Credit: Debsindhu Bhowmik/ORNL, U.S. Dept. of Energy

To explore the inner workings of severe acute respiratory syndrome coronavirus 2, or SARS-CoV-2, researchers from ORNL developed a novel technique.

This protein drives key processes for sulfide use in many microorganisms that produce methane, including Thermosipho melanesiensis. Researchers used supercomputing and deep learning tools to predict its structure, which has eluded experimental methods such as crystallography.  Credit: Ada Sedova/ORNL, U.S. Dept. of Energy

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory and the Georgia Institute of Technology is using supercomputing and revolutionary deep learning tools to predict the structures and roles of thousands of proteins with unknown functions.

As part of the Next-Generation Ecosystem Experiments Arctic project, scientists are gathering and incorporating new data about the Alaskan tundra into global models that predict the future of our planet. Credit: ORNL/U.S. Dept. of Energy

Improved data, models and analyses from ORNL scientists and many other researchers in the latest global climate assessment report provide new levels of certainty about what the future holds for the planet 

Researchers studying secondary metabolites in the fungus Aspergillus flavus, pictured, found unique mixes of metabolites corresponding to genetically distinct populations. The finding suggests local environmental conditions play a key role in secondary metabolite production, influencing the discovery of drugs and other useful compounds. Credit: Tomás Allen Rush/ORNL, U.S. Dept. of Energy.

Scientists at ORNL and the University of Wisconsin–Madison have discovered that genetically distinct populations within the same species of fungi can produce unique mixes of secondary metabolites, which are organic compounds with applications in

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.

Belinda Akpa applies her diverse expertise and high-performance computing to accelerate the drug discovery process and increase the chances of success when candidate molecules go to clinical trials. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Belinda Akpa is a chemical engineer with a talent for tackling big challenges and fostering inclusivity and diversity in the next generation of scientists.