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Big Data

Alex May ORNLPeople

Data Curation for the Exascale Era

This summer, Alex May faced a task daunting enough for any human: sift through a dataset of 10 million organic molecules, make sure everything was correct and get it done within two weeks. That task was not the first time May has had to assess voluminous amounts of data within a…
Coury Turczyn
December 13, 2023
moleculesScienceTechnology

ORNL Scientists Generate Molecular Datasets at Extreme Scale

A team of computational scientists at the Department of Energy’s Oak Ridge National Laboratory has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules. Understanding how a molecule interacts with light is essential to uncovering its electronic and optical…
Coury Turczyn
December 13, 2023
ORNL’s Sergei Kalinin and Rama Vasudevan (foreground) use scanning probe microscopy to study bulk ferroelectricity and surface electrochemistry -- and generate a lot of data. Credit: Jason Richards/ORNL, U.S. Dept. of EnergyScience

ORNL’s Superb Materials Expertise, Data and AI Tools Propel Progress

At the Department of Energy’s Oak Ridge National Laboratory, scientists use artificial intelligence, or AI, to accelerate the discovery and development of materials for energy and information technologies. “AI gives scientists the ability to extract insights from an ever-expanding volume of data,” said David Womble, ORNL’s AI program director. “New AI…
Dawn Levy
May 5, 2021
George OstrouchovPeople

Preaching pbdR

Since bursting onto the scene in the early ’90s, high-performance computing (HPC) has become the most productive method for exploring ambitious problems in science that require substantial computational power. Yet in 2018, researchers in the statistical sciences—fields ranging from biology to economics to sociology—have yet to fully embrace the power…
Jonathan Hines
August 29, 2018
Technology

New Discoveries Within ‘SIGHT’

SIGHT visualization from a project led by University of Virginia’s Leonid Zhigilei to explore how lasers transform metal surface. At the home of America’s most powerful supercomputer, the Oak Ridge Leadership Computing Facility (OLCF), researchers often simulate millions or billions of dynamic atoms to study complex problems in science and…
Katie Elyce Jones
February 7, 2018
Technology

OLCF Testing New Platform for Scientific Workflows

OpenShift is an open source container application platform by Red Hat based on top of Docker containers and the Kubernetes container cluster manager for enterprise app development and deployment. Scientific progress increasingly is driven by data—along with the instruments that produce it, the networks that move it, the systems that…
Jonathan Hines
June 5, 2017