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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

Computational scientists generate molecular datasets at extreme scale

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. 

The Department of Energy’s Oak Ridge National Laboratory announced the establishment of its Center for AI Security Research, or CAISER, to address threats already present as governments and industries around the world adopt artificial intelligence and take advantage of the benefits it promises in data processing, operational efficiencies and decision-making. Credit: Rachel Green/ORNL, U.S. Dept. of Energy

ORNL launches Center for AI Security Research to study AI’s impacts on society, security

The Department of Energy’s Oak Ridge National Laboratory announced the establishment of the Center for AI Security Research, or CAISER, to address threats already present as governments and industries around the world adopt artificial intelligence and take advantage of the benefits it promises in data processing, operational efficiencies and decision-making.

CFM’s RISE open fan engine architecture. Image: GE Aerospace

GE Aerospace runs one of the world’s largest supercomputer simulations to test revolutionary new open fan engine architecture

To support the development of a revolutionary new open fan engine architecture for the future of flight, GE Aerospace has run simulations using the world’s fastest supercomputer capable of crunching data in excess of exascale speed, or more than a quintillion calculations per second.

Data Center World keynote presenter, Bill Kleyman, right, presented ORNL’s Paul Abston with the Data Center Manager of the Year 2023 award during the conference’s general session on May 9. Credit: Data Center World AFCOM

Abston, manager of Frontier and Summit data centers, named best of the year

Paul Abston, leader of the HPC Infrastructure Operations Group of the National Center for Computational Sciences and manager of the Oak Ridge Leadership Computing Facility’s data center, has been named Data Center Manager of the Year for 2023.

An AI-generated image representing atoms and artificial neural networks. Credit: Maxim Ziatdinov, ORNL

Deep learning–based data analysis software by ORNL promises to accelerate materials research

Researchers at ORNL have developed a machine-learning inspired software package that provides end-to-end image analysis of electron and scanning probe microscopy images.

Prasanna Balaprakash

Balaprakash named director of ORNL’s Artificial Intelligence Initiative

ORNL has named Prasanna Balaprakash to direct its artificial intelligence efforts. The laboratory’s AI Initiative coordinates efforts across its varied research directorates to harness the power of AI and data science in tackling some

ORNL will use its land surface modeling tools to determine Baltimore’s climate risk and analyze green infrastructure improvements that can help mitigate impacts on underserved communities as part of a DOE Urban Integrated Field Laboratory project. Source: Google Earth, accessed Sept. 12, 2022

Taking it to the streets: ORNL models climate solutions for U.S. cities

ORNL researchers are deploying their broad expertise in climate data and modeling to create science-based mitigation strategies for cities stressed by climate change as part of two U.S. Department of Energy Urban Integrated Field Laboratory projects.

ORNL, VA and Harvard researchers developed a sparse matrix full of anonymized information on what is thought to be the largest cohort of healthcare data used for this type of research in the U.S. The matrix can be probed with different methods, such as KESER, to gain new insights into human health. Credit: Nathan Armistead/ORNL, U.S. Dept. of Energy

VA, ORNL and Harvard develop novel method to identify complex medical relationships

A team of researchers has developed a novel, machine learning–based  technique to explore and identify relationships among medical concepts using electronic health record data across multiple healthcare providers.

Watermarks, considered the most efficient mechanisms for tracking how complete streaming data processing is, allow new tasks to be processed immediately after prior tasks are completed. Image Credit: Nathan Armistead, ORNL

ORNL, Google and Snowflake formalize novel data stream processing concept

A team of collaborators from ORNL, Google Inc., Snowflake Inc. and Ververica GmbH has tested a computing concept that could help speed up real-time processing of data that stream on mobile and other electronic devices.

As part of the Next-Generation Ecosystem Experiments Arctic project, scientists are gathering and incorporating new data about the Alaskan tundra into global models that predict the future of our planet. Credit: ORNL/U.S. Dept. of Energy

ORNL expertise supports latest IPCC report and efforts to understand, address climate change

Improved data, models and analyses from ORNL scientists and many other researchers in the latest global climate assessment report provide new levels of certainty about what the future holds for the planet