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Architects of the Adaptable IO System, seen here with Frontier's Orion file system: Scott Klasky, left, heads the ADIOS project and leads ORNL's Workflow Systems group, and Norbert Podhorszki, an ORNL computer scientist, oversees ADIOS's continuing development. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Integral to the functionality of ORNL's Frontier supercomputer is its ability to store the vast amounts of data it produces onto its file system, Orion. But even more important to the computational scientists running simulations on Frontier is their capability to quickly write and read to Orion along with effectively analyzing all that data. And that’s where ADIOS comes in.

SOS26 attendees standing in front of the Kennedy Space Center on Merrit Island, Florida the night of their dinner reception provided by the conference sponsors. The keynote speaker was Rupak Biswas from NASA. Credit: Judy Potok/ORNL, U.S. Dept. of Energy

Held in Cocoa Beach, Florida from March 11 to 14, researchers across the computing and data spectra participated in sessions developed by staff members from the Department of Energy’s Oak Ridge National Laboratory, or ORNL, Sandia National Laboratories and the Swiss National Supercomputing Centre. 

Hyperspectral data is captured along with other critical measurements in ORNL’s Advanced Plant Phenotyping Laboratory and then presented in a 3D cube. This hypercube shows spectral data collected from poplar trees. Credit: Hong-Jun Yoon and Stan Martin/ORNL, U.S. Dept. of Energy

OLCF and APPL have collaborated on an automated data pipeline to manage data from APPL's hyperspectral imaging tools. The collaboration is an early effort of DOE's Integrated Research Infrastructure.

DOE national laboratory scientists led by Oak Ridge National Laboratory have developed the first tree dataset of its kind, bridging molecular information about the poplar tree microbiome to ecosystem-level processes. Credit: Andy Sproles, ORNL/U.S. Dept. of Energy

A first-ever dataset bridging molecular information about the poplar tree microbiome to ecosystem-level processes has been released by a team of DOE scientists led by ORNL. The project aims to inform research regarding how natural systems function, their vulnerability to a changing climate and ultimately how plants might be engineered for better performance as sources of bioenergy and natural carbon storage.

Credit: Tyler Spano/ORNL, U.S. Dept. of Energy

Nuclear nonproliferation scientists at ORNL have published the Compendium of Uranium Raman and Infrared Experimental Spectra, a public database and analysis of structure-spectral relationships for uranium minerals. This first-of-its-kind dataset and corresponding analysis fill a key gap in the existing body of knowledge for mineralogists and actinide scientists. 

Using a better modeling framework, with data collected from Mississippi Delta marshes, scientists are able to improve the predictions of methane and other greenhouse gas emissions. Credit: Matthew Berens/ORNL, U.S Dept. of Energy

Scientists at the Department of Energy’s Oak Ridge National Laboratory are using a new modeling framework in conjunction with data collected from marshes in the Mississippi Delta to improve predictions of climate-warming methane and nitrous oxide.

Conversion of an atomic structure into a graph, where atoms are treating as nodes and interatomic bonds as edges. Credit: Massimiliano “Max” Lupo Pasini/ORNL, U.S. Dept. of Energy

Researchers at the Department of Energy’s Oak Ridge and Lawrence Berkeley National Laboratories are evolving graph neural networks to scale on the nation’s most powerful computational resources, a necessary step in tackling today’s data-centric

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. 

Sangkeun “Matt” Lee received the Best Poster Award at the Institute of Electrical and Electronics Engineers 24th International Conference on Information Reuse and Integration.

Lee's paper at the August conference in Bellevue, Washington, combined weather and power outage data for three states – Texas, Michigan and Hawaii –  and used a machine learning model to predict how extreme weather such as thunderstorms, floods and tornadoes would affect local power grids and to estimate the risk for outages. The paper relied on data from the National Weather Service and the U.S. Department of Energy’s Environment for Analysis of Geo-Located Energy Information, or EAGLE-I, database.