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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 91°µÍř, 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 91°µÍř. 

7 people from ORBIT research team accept their award from Tom Tabor (middle)

ORNL has been recognized in the 21st edition of the HPCwire Readers’ and Editors’ Choice Awards, presented at the 2024 International Conference for High Performance Computing, Networking, Storage and Analysis in Atlanta, Georgia.

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 91°µÍř recently used Frontier, the world’s most powerful supercomputer, to calculate the magnetic properties of calcium-48’s atomic nucleus. 

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. 

Scientists at 91°µÍř 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.

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.

Researchers used Frontier, the world’s first exascale supercomputer, to simulate a magnesium system of nearly 75,000 atoms and the National Energy Research Computing Center’s Perlmutter supercomputer to simulate a quasicrystal structure, above, in a ytterbium-cadmium alloy. Credit: Vikram Gavini

Researchers used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.

Frontier’s exascale power enables the Energy, Exascale and Earth System Model-Multiscale Modeling Framework — or E3SM-MMF — project to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Mark Taylor/Sandia National Laboratories, U.S. Dept. of Energy

The world’s first exascale supercomputer will help scientists peer into the future of global climate change and open a window into weather patterns that could affect the world a generation from now.