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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](/sites/default/files/styles/list_page_thumbnail/public/2023-12/image001_0.png?h=16ec4b77&itok=KtCjteSq)
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.
![The OpeN-AM experimental platform, installed at the VULCAN instrument at ORNL’s Spallation Neutron Source, features a robotic arm that prints layers of molten metal to create complex shapes. This allows scientists to study 3D printed welds microscopically. Credit: Jill Hemman, ORNL/U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-10/VULCAN_welding_1.png?h=68c90eda&itok=gvwAQCpN)
Using neutrons to see the additive manufacturing process at the atomic level, scientists have shown that they can measure strain in a material as it evolves and track how atoms move in response to stress.
![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](/sites/default/files/styles/list_page_thumbnail/public/2023-04/cholla_image001.png?h=e7fd8fff&itok=Jj11Uvtl)
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](/sites/default/files/styles/list_page_thumbnail/public/2023-03/Picture1_0.png?h=d55ce37e&itok=Q2qLUWnE)
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.
![The ORNL researchers’ findings may enable better detection of uranium tetrafluoride hydrate, a little-studied byproduct of the nuclear fuel cycle, and better understanding of how environmental conditions influence the chemical behavior of fuel cycle materials. Credit: Kevin Pastoor/Colorado School of Mines](/sites/default/files/styles/list_page_thumbnail/public/2022-05/UF4%20hydrate.png?h=d318f057&itok=spT-Dg48)
ORNL researchers used the nation’s fastest supercomputer to map the molecular vibrations of an important but little-studied uranium compound produced during the nuclear fuel cycle for results that could lead to a cleaner, safer world.
![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](/sites/default/files/styles/list_page_thumbnail/public/2022-02/MaierSpinBanner.png?h=ae114f5c&itok=rdZETb8v)
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.
![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](/sites/default/files/styles/list_page_thumbnail/public/2021-11/Quantum%20Illustration%20V3_0.png?h=2e111cc1&itok=Bth5wkD4)
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.
![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](/sites/default/files/styles/list_page_thumbnail/public/2021-06/frame1.png?h=d1cb525d&itok=51pwBWyP)
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.
![The researchers embedded a programmable model into a D-Wave quantum computer chip. Credit: D-Wave](/sites/default/files/styles/list_page_thumbnail/public/2021-02/P5-o5czF_0.jpg?h=b69e0e0e&itok=wCU6WIp_)
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.
![ORNL is designing a neutronic research engine to evaluate new materials and designs for advanced vehicles using the facilities at the Spallation Neutron Source at ORNL. Credit: Jill Hemman/ORNL, U.S. Dept of Energy, and Southwest Research Institute.](/sites/default/files/styles/list_page_thumbnail/public/2020-12/20-G01771_VULCAN_engine_proof1.png?h=e4fbc3eb&itok=f6owlGkE)
In the quest for advanced vehicles with higher energy efficiency and ultra-low emissions, ORNL researchers are accelerating a research engine that gives scientists and engineers an unprecedented view inside the atomic-level workings of combustion engines in real time.