3 papers
cs.DC2025
Aurora: Architecting Argonne's First Exascale Supercomputer for Accelerated Scientific Discovery
William E. Allcock, Benjamin S. Allen, James Anchell +106
Aurora is Argonne National Laboratory's pioneering Exascale supercomputer, designed to accelerate scientific discovery with cutting-edge architectural innovations. Key new technolo…
physics.chem-ph2025
Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals
Anouar Benali, Thomas Plé, Olivier Adjoua +18
We propose an end-to-end integrated strategy to produce highly accurate quantum chemistry (QC) synthetic datasets (energies and forces) aimed at deriving Foundation Machine Learnin…
cs.DC2025
THAPI: Tracing Heterogeneous APIs
Solomon Bekele, Aurelio Vivas, Thomas Applencourt +5
As we reach exascale, production High Performance Computing (HPC) systems are increasing in complexity. These systems now comprise multiple heterogeneous computing components (CPUs…