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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.

Scientists at Oak Ridge National Laboratory contributed to several chapters of the Fifth National Climate Assessment, providing expertise in complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling. Credit: ORNL, U.S. Dept. of Energy

Scientists at ORNL used their knowledge of complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling to inform the nation’s latest National Climate Assessment, which draws attention to vulnerabilities and resilience opportunities in every region of the country.

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.

Clouds of gray smoke in the lower left are funneled northward from wildfires in Western Canada, reaching the edge of the sea ice covering the Arctic Ocean. A second path of thick smoke is visible at the top center of the image, emanating from wildfires in the boreal areas of Russia’s Far East, in this image captured on July 13, 2023. Credit: NASA MODIS

Wildfires have shaped the environment for millennia, but they are increasing in frequency, range and intensity in response to a hotter climate. The phenomenon is being incorporated into high-resolution simulations of the Earth’s climate by scientists at the Department of Energy’s Oak Ridge National Laboratory, with a mission to better understand and predict environmental change.

TIP graphic

Scientist-inventors from ORNL will present seven new technologies during the Technology Innovation Showcase on Friday, July 14, from 8 a.m.–4 p.m. at the Joint Institute for Computational Sciences on ORNL’s campus.

Rigoberto Advincula

Rigoberto Advincula, a renowned scientist at ORNL and professor of Chemical and Biomolecular Engineering at the University of Tennessee, has won the Netzsch North American Thermal Analysis Society Fellows Award for 2023.

UKAEA will provide novel fusion materials to be irradiated in ORNL’s HFIR facility over the next four years. From left, Kathy McCarthy, Jeremy Busby, Mickey Wade, Prof Sir Ian Chapman (UKAEA CEO), Cynthia Jenks and Yutai Kato will represent this new partnership. Not pictured: Dr. Amanda Quadling, UKAEA’s Director of Materials Research Facility. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

ORNL has entered a strategic research partnership with the United Kingdom Atomic Energy Authority, or UKAEA, to investigate how different types of materials behave under the influence of high-energy neutron sources. The $4 million project is part of UKAEA's roadmap program, which aims to produce electricity from fusion.

From left are UWindsor students Isabelle Dib, Dominik Dziura, Stuart Castillo and Maksymilian Dziura at ORNL’s Neutron Spin Echo spectrometer. Their work advances studies on a natural cancer treatment. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

A scientific instrument at ORNL could help create a noninvasive cancer treatment derived from a common tropical plant.

Heat is typically carried through a material by vibrations known as phonons. In some crystals, however, different atomic motions — known as phasons — carry heat three times faster and farther. This illustration shows phasons made by rearranging atoms, shown by arrows. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Warming a crystal of the mineral fresnoite, ORNL scientists discovered that excitations called phasons carried heat three times farther and faster than phonons, the excitations that usually carry heat through a material.