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The illustration depicts ocean surface currents simulated by MPAS-Ocean. Credit: Los Alamos National Laboratory, E3SM, U.S. Dept. of Energy

A team from DOE’s Oak Ridge, Los Alamos and Sandia National Laboratories has developed a new solver algorithm that reduces the total run time of the Model for Prediction Across Scales-Ocean, or MPAS-Ocean, E3SM’s ocean circulation model, by 45%. 

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.

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.

benjmain Manard portrait

Benjamin Manard has been selected to receive the 2023 JAAS Emerging Investigator Lectureship

Ramesh Bhave in lab

Caldera Holding, the owner and developer of Missouri’s Pea Ridge iron mine, has entered a nonexclusive research and development licensing agreement with ORNL to apply a membrane solvent extraction technique, or MSX, developed by ORNL researchers to mined ores.

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.

Kim Tutin, founder and chief executive officer of Captis Aire, receives the EPA Green Chemistry Challenge Award. Credit: Eric Vance/USEPA

The founder of a startup company who is working with ORNL has won an Environmental Protection Agency Green Chemistry Challenge Award for a unique air pollution control technology. 

Group image

In response to a renewed international interest in molten salt reactors, researchers from the Department of Energy’s Oak Ridge National Laboratory have developed a novel technique to visualize molten salt intrusion in graphite.

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.