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2025 Science Highlights

In 2025, researchers from around the globe used ALCF supercomputing and AI resources to drive breakthroughs in fields ranging from protein design to fusion energy, hypersonic flight, and astrophysics.

Biological Sciences

APACE: AlphaFold2 and Advanced Computing as a Service for Accelerated Discovery in Biophysics

PI: Eliu Huerta, Argonne National Laboratory
SYSTEM: Polaris
Biological Sciences

Establishing Digital Twins for High Throughput Cellular Analysis in Whole Blood

PI: Amanda Randles, Duke University
SYSTEM: Aurora
Earth Science

AERIS: Argonne Earth Systems Model for Reliable and Skillful Predictions

PI: Rao Kotamarthi, Argonne National Laboratory
SYSTEM: Aurora
Energy Technologies

Numerical Simulation of Involute-Plate Research Reactor Flow Behavior

PI: Yiqi Yu, Argonne National Laboratory
SYSTEM: Theta
Engineering

First-Principles Simulation of Hypersonic Flight

PI: Maninder Grover, University of Dayton Research Institute and Air Force Research Laboratory
SYSTEM: Theta
Materials Science

AI Tools for Data-Driven Molecular Engineering

PI: Jacqueline Cole, University of Cambridge
SYSTEM: Polaris
Materials Science

Allegro-FM: Toward an Equivariant Foundation Model for Exascale Molecular Dynamics Simulations

PI: Aiichiro Nakano, University of Southern California
SYSTEM: Aurora, Sophia
Materials Science

Multiscale Light-Matter Dynamics in Quantum Materials: From Electrons to Topological Superlattices

PI: Aiichiro Nakano, University of Southern California
SYSTEM: Aurora
Physics

Illuminating the Physics of Dark Energy with the Discovery Simulations

PI: Katrin Heitmann, Argonne National Laboratory
SYSTEM: Aurora
Physics

Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms

PI: Zhenglu Li, University of Southern California; Mauro Del Ben, Lawrence Berkeley National Laboratory
SYSTEM: Aurora