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Alex May, pictured above, is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility. Credit: Carlos Jones and Wikimedia Commons, background/ORNL, U.S. Dept. of Energy
Alex May is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility, evaluating datasets developed by computational scientists before they are made public through the OLCF’s Constellation portal for open data exchange.
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. 

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.

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.

ORNL researchers are establishing a digital thread of data, algorithms and workflows to produce a continuously updated model of earth systems.

Digital twins are exactly what they sound like: virtual models of physical reality that continuously update to reflect changes in the real world.

 

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.

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.

SM2ART team members receive the CAMX Combined Strength Award at the Georgia World Congress Center in Atlanta. Pictured here are, from left, ORNL’s Dan Coughlin, Sana Elyas, Halil Tekinalp, Amber Hubbard, Soydan Ozcan; University of Maine’s Susan MacKay, Angelina Buzzelli, Scott Tomlinson, Wesley Bisson; and ORNL’s Matt Korey and Vlastimil Kunc. Credit: University of Maine

The Hub & Spoke Sustainable Materials & Manufacturing Alliance for Renewable Technologies, or SM2ART, program has been honored with the composites industry’s Combined Strength Award at the Composites and Advanced Materials Expo, or CAMX, 2023 in Atlanta. This distinction goes to the team that applies their knowledge, resources and talent to solve a problem by making the best use of composites materials.

ORNL Composites Innovation staff members David Nuttall, left, and Vipin Kumar use additive manufacturing compression molding to produce a composite-based finished part in minutes. AMCM technology could accelerate decarbonization of the automobile and aerospace industries. Credit: ORNL, U.S. Dept. of Energy

Researchers at ORNL are extending the boundaries of composite-based materials used in additive manufacturing, or AM. ORNL is working with industrial partners who are exploring AM, also known as 3D printing, as a path to higher production levels and fewer supply chain interruptions.

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.