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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. 

Frontier’s exascale power enables the Simple Cloud-Resolving E3SM Atmosphere Model to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Ben Hillman/Sandia National Laboratories, U.S. Dept. of Energy

A 19-member team of scientists from across the national laboratory complex won the Association for Computing Machinery’s 2023 Gordon Bell Special Prize for Climate Modeling for developing a model that uses the world’s first exascale supercomputer to simulate decades’ worth of cloud formations.

A Univ. of Michigan-led team used Frontier, the world’s first exascale supercomputer, to simulate a system of nearly 75,000 magnesium atoms at near-quantum accuracy. Credit: SC23

 

A team of eight scientists won the Association for Computing Machinery’s 2023 Gordon Bell Prize for their study that used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.

From left, Cable-Dunlap, Chi, Smith and Thornton have been named ORNL Corporate Fellows. Credit: ORNL, U.S. Dept. of Energy

Four researchers at the Department of Energy’s Oak Ridge National Laboratory have been named ORNL Corporate Fellows in recognition of significant career accomplishments and continued leadership in their scientific fields.

Gina Tourassi. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy 

Effective Dec. 4, Gina Tourassi will assume responsibilities as associate laboratory director for the Computing and Computational Sciences Directorate at the Department of Energy’s Oak Ridge National Laboratory.

A small droplet of water is suspended in midair via an electrostatic levitator that lifts charged particles using an electric field that counteracts gravity. Credit: Iowa State University/ORNL, U.S. Dept. of Energy

How do you get water to float in midair? With a WAND2, of course. But it’s hardly magic. In fact, it’s a scientific device used by scientists to study matter.

2023 Battelle Distinguished Inventors

Four scientists affiliated with ORNL were named Battelle Distinguished Inventors during the lab’s annual Innovation Awards on Dec. 1 in recognition of being granted 14 or more United States patents.

Karen White

Karen White, who works in ORNL’s Neutron Science Directorate, has been honored with a Lifetime Achievement Award.

Front row: Victoria DiStefano and Dr. Asmeret Asefaw Berhe of DOE toured the SPRUCE experiment with Natalie Griffiths, Melanie Mayes, and Verity Salmon; back row: Dave Weston, Stephen Sebestyen (US Forest Service), Jonathan Stelling, Mark Guilliams, John Latimer (ORNL contractor), Kyle Pearson and Paul Hanson. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

The first climate scientist to head the Department of Energy’s Office of Science, Dr. Asmeret Asefaw Berhe, recently visited two ORNL-led field research facilities in Minnesota and Alaska to witness how these critically important projects are informing our understanding of the future climate and its impact on communities.

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.