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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. 

Conceptual art depicts machine learning finding an ideal material for capacitive energy storage. Its carbon framework (black) has functional groups with oxygen (pink) and nitrogen (turquoise). Credit: Tao Wang/ORNL, U.S. Dept. of Energy

Guided by machine learning, chemists at ORNL designed a record-setting carbonaceous supercapacitor material that stores four times more energy than the best commercial material.

red and green sphagnum moss

A type of peat moss has surprised scientists with its climate resilience: Sphagnum divinum is actively speciating in response to hot, dry conditions. 

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The Oak Ridge Leadership Computing Facility, a Department of Energy Office of Science user facility at ORNL, is pleased to announce a new allocation program for computing time on the IBM AC922 Summit supercomputer.

Connecting  wires to the interface of the topological insulator and superconductor enables probing of novel electronic properties. Researchers aim for qubits based on theorized Majorana particles. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Quantum computers process information using quantum bits, or qubits, based on fragile, short-lived quantum mechanical states. To make qubits robust and tailor them for applications, researchers from the Department of Energy’s Oak Ridge National Laboratory sought to create a new material system.

top view of cicada wing

Over the past decade, teams of engineers, chemists and biologists have analyzed the physical and chemical properties of cicada wings, hoping to unlock the secret of their ability to kill microbes on contact. If this function of nature can be replicated by science, it may lead to products with inherently antibacterial surfaces that are more effective than current chemical treatments.

3D supernova simulations

As a result of largescale 3D supernova simulations conducted on the Oak Ridge Leadership Computing Facility’s Summit supercomputer by researchers from the University of Tennessee and Oak Ridge National Laboratory, astrophysicists now have the most complete picture yet of what gravitational waves from exploding stars look like. 

Simulations performed on Oak Ridge National Laboratory’s Summit supercomputer generated one of the most detailed portraits to date of how turbulence disperses heat through ocean water under realistic conditions. Credit: Miles Couchman

Simulations performed on the Summit supercomputer at ORNL revealed new insights into the role of turbulence in mixing fluids and could open new possibilities for projecting climate change and studying fluid dynamics.

Artificial intelligence is becoming an increasingly valuable tool for ORNL researchers tackling the many mysteries of cancer. Credit: Getty Images.

A team of researchers from ORNL was recognized by the National Cancer Institute in March for their unique contributions in the fight against cancer.

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.