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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. 

This image depicts a visualization of an outflow of galactic wind at a single point in time using Cholla. Credit: Evan Schneider/University of Pittsburgh

A trio of new and improved cosmological simulation codes was unveiled in a series of presentations at the annual April Meeting of the American Physical Society in Minneapolis.

Oak Ridge National Laboratory led a team of scientists to design a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and future virus outbreaks. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory designed a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and other viral diseases.

An international team of researchers used Summit to model spin, charge and pair-density waves in cuprates, a type of copper alloy, to explore the materials’ superconducting properties. The results revealed new insights into the relationships between these dynamics as superconductivity develops. Credit: Jason Smith/ORNL

A study led by researchers at ORNL used the nation’s fastest supercomputer to close in on the answer to a central question of modern physics that could help conduct development of the next generation of energy technologies.

The researchers embedded a programmable model into a D-Wave quantum computer chip. Credit: D-Wave

Since the 1930s, scientists have been using particle accelerators to gain insights into the structure of matter and the laws of physics that govern our world.

Distinguished Inventors

Six scientists at the Department of Energy’s Oak Ridge National Laboratory were named Battelle Distinguished Inventors, in recognition of obtaining 14 or more patents during their careers at the lab.

ORNL-developed cryogenic memory cell circuit designs fabricated onto these small chips by SeeQC, a superconducting technology company, successfully demonstrated read, write and reset memory functions. Credit: Carlos Jones/Oak Ridge National Laboratory, U.S. Dept. of Energy

Scientists at have experimentally demonstrated a novel cryogenic, or low temperature, memory cell circuit design based on coupled arrays of Josephson junctions, a technology that may be faster and more energy efficient than existing memory devices.

ORNL-led collaboration solves a beta-decay puzzle with advanced nuclear models

OAK RIDGE, Tenn., March 11, 2019—An international collaboration including scientists at the Department of Energy’s Oak Ridge National Laboratory solved a 50-year-old puzzle that explains why beta decays of atomic nuclei 

Graphical representation of a deuteron, the bound state of a proton (red) and a neutron (blue). Credit: Andy Sproles/Oak Ridge National Laboratory, U.S. Dept. of Energy.

Scientists at the Department of Energy’s Oak Ridge National Laboratory are the first to successfully simulate an atomic nucleus using a quantum computer. The results, published in Physical Review Letters, demonstrate the ability of quantum systems to compute nuclear ph...