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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.

ORNL neural network study harnesses made-to-order design to pair properties to materials

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

ORNL multimodal study sheds new light on promising photovoltaic material

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

QIS investments position ORNL to lead the quantum revolution

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.

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

Scientists use Summit supercomputer, deep learning to predict protein functions at genome scale

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.

Using quantum Monte Carlo methods, the researchers simulated bulk VO2. Yellow and turquoise represent changes in electron density between the excited and ground states of a compound composed of oxygen, in red, and vanadium, in blue, which allowed them to evaluate how an oxygen vacancy, in white, can alter the compound’s properties. Credit: Panchapakesan Ganesh/ORNL, U.S. Dept. of Energy

Artificially altered material could accelerate neuromorphic device development

Neuromorphic devices — which emulate the decision-making processes of the human brain — show great promise for solving pressing scientific problems, but building physical systems to realize this potential presents researchers with a significant

A material’s spins, depicted as red spheres, are probed by scattered neutrons. Applying an entanglement witness, such as the QFI calculation pictured, causes the neutrons to form a kind of quantum gauge. This gauge allows the researchers to distinguish between classical and quantum spin fluctuations. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

Key witness helps scientists detect ‘spooky’ quantum entanglement in solid materials

A team led by the U.S. Department of Energy’s Oak Ridge National Laboratory demonstrated the viability of a “quantum entanglement witness” capable of proving the presence of entanglement between magnetic particles, or spins, in a quantum material.

ORNL researchers used neutrons at the lab’s Spallation Neutron Source to analyze modified high-entropy metal alloys with enhanced strength and ductility, or the ability to stretch, under high-stress without failing. Credit: Rui Feng/ORNL, U.S. Dept. of Energy

Neutrons – ‘Stretchier’ alloys

Researchers at Oak Ridge National Laboratory have developed a method of adding nanostructures to high-entropy metal alloys, or HEAs, that enhance both strength and ductility, which is the ability to deform or stretch
ORNL has modeled the spike protein that binds the novel coronavirus to a human cell for better understanding of the dynamics of COVID-19. Credit: Stephan Irle/ORNL, U.S. Dept. of Energy

Computing – Modeling COVID dynamics

To better understand the spread of SARS-CoV-2, the virus that causes COVID-19, Oak Ridge National Laboratory researchers have harnessed the power of supercomputers to accurately model the spike protein that binds the novel coronavirus to a human cell receptor.

Small, 3D-printed neutron collimators, designed by ORNL’s Jamie Molaison, yield reduced costs and manufacturing times and could enable new types of experiments. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

ExOne to 3D Print Lightweight Ceramic-Metal Parts Under New License with Oak Ridge National Laboratory

The ExOne Company, the global leader in industrial sand and metal 3D printers using binder jetting technology, announced it has reached a commercial license agreement with Oak Ridge National Laboratory to 3D print parts in aluminum-infiltrated boron carbide.

Frontier supercomputer

Multi-institutional team earns Gordon Bell Special Prize finalist nomination for rapid COVID-19 molecular docking simulations

A multi-institutional team, led by a group of investigators at Oak Ridge National Laboratory, has been studying various SARS-CoV-2 protein targets, including the virus’s main protease. The feat has earned the team a finalist nomination for the Association of Computing Machinery, or ACM, Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research.