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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

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. 

Image of circuitry representing AI.

Research performed by a team, including scientists from ORNL and Argonne National Laboratory, has resulted in a Best Paper Award at the 19th IEEE International Conference on eScience.

NEXTGENCOMPUTING students learned fundamental computing concepts through an HPC Crash Course before applying those concepts to an AI-based team project. From left to right, front row: Saahithi Gorti, Hannah Bao, Pragya Nidhi. Middle row: Kaiya Barnes, Brianna Andrews, Aninditha Nair, Olivia Heng, Disha Maheshwari, Emma Bohse, Sachi Griffin, Kevin Peng. Back row, Kieran Marci, Ronak Patel, Michael Batchelor, Matthew Tan, Richard Sances, Dhanvi Bharadwaj, Prabhash G C. Credit: ORNL

This summer, ORNL welcomed more than 500 students to campus through the lab’s range of internship programs, which are offered in areas such as biology, national security and computing.

A new method for analyzing climate models brings together information from various lines of evidence to represent Earth’s climate sensitivity. Credit: Jason Smith/ORNL, U.S. Dept. of Energy

Researchers from institutions including ORNL have created a new method for statistically analyzing climate models that projects future conditions with more fidelity.

Hilda Klasky

Hilda Klasky, a research scientist in ORNL’s Computing and Computational Sciences Directorate, has been named a fellow of the American Medical Informatics Association.

The Frontier exascale supercomputer at Oak Ridge National Laboratory. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL has joined a global consortium of scientists from federal laboratories, research institutes, academia and industry to address the challenges of building large-scale artificial intelligence systems and advancing trustworthy and reliable AI for

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.

Frontier cabinets

How the Frontier team broke the exascale barrier to launch a new supercomputing era for scientific discovery.

From left are Analytics and AI Methods at Scale group leader Feiyi Wang, technical lead Mike Matheson and research scientist Hao Lu.

The team that built Frontier set out to break the exascale barrier, but the supercomputer’s record-breaking didn’t stop there.

Staff working on construction and facility updates in preparation for the Frontier, the world’s first exascale supercomputer.

Making room for the world’s first exascale supercomputer took some supersized renovations.