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ORNL computing staff members Hector Suarez (middle) and William Castillo (right) talk HPC at the Tapia Conference career fair in San Diego, California. Credit: ORNL, U.S. Dept of Energy

The National Center for Computational Sciences, located at the Department of Energy’s Oak Ridge National Laboratory, made a strong showing at computing conferences this fall. Staff from across the center participated in numerous workshops and invited speaking engagements.

A small sample from the Frontier simulations reveals the evolution of the expanding universe in a region containing a massive cluster of galaxies from billions of years ago to present day (left).

In early November, researchers at the Department of Energy’s Argonne National Laboratory used the fastest supercomputer on the planet to run the largest astrophysical simulation of the universe ever conducted. The achievement was made using the Frontier supercomputer at Oak Ridge National Laboratory. 

Illustration of a hydrogen atom.

Scientists at ORNL used neutrons to end a decades-long debate about an enzyme cancer uses.

Hard drive being pulled and put in recycle container.

The Summit supercomputer, once the world’s most powerful, is set to be decommissioned by the end of 2024 to make way for the next-generation supercomputer. Over the summer, crews began dismantling Summit’s Alpine storage system, shredding over 40,000 hard drives with the help of ShredPro Secure, a local East Tennessee business. This partnership not only reduced costs and sped up the process but also established a more efficient and secure method for decommissioning large-scale computing systems in the future.

Robert Saethre has worked to create a LEGO model of the ring injection region of the SNS’ pulsed accelerator that features the new Proton Power Upgrade magnets and vacuum chambers.

Using LEGO® bricks, Robert Saethre has worked to create a model of the ring injection region of the SNS pulsed accelerator that features the new Proton Power Upgrade magnets and vacuum chambers. 

The Frontier supercomputer simulated magnetic responses inside calcium-48, depicted by red and blue spheres. Insights into the nucleus’s fundamental forces could shed light on supernova dynamics.

Nuclear physicists at the Department of Energy’s Oak Ridge National Laboratory recently used Frontier, the world’s most powerful supercomputer, to calculate the magnetic properties of calcium-48’s atomic nucleus. 

3D printed “Frankenstein design” collimator show the “scars” where the individual parts are joined

Scientists at ORNL have developed 3-D-printed collimator techniques that can be used to custom design collimators that better filter out noise during different types of neutron scattering experiments

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 small droplet of water is suspended in midair via an electrostatic levitator that lifts charged particles using an electric field that counteracts gravity. Credit: Iowa State University/ORNL, U.S. Dept. of Energy

How do you get water to float in midair? With a WAND2, of course. But it’s hardly magic. In fact, it’s a scientific device used by scientists to study matter.

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.