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Argonne Leadership Computing Facility

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    Leadership Computing Resources

    The ALCF provides users with access to supercomputing resources that are significantly more powerful than systems typically used for open scientific research.

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    The ALCF is accelerating scientific discoveries in many disciplines, ranging from chemistry and engineering to physics and materials science.

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    The ALCF is committed to providing training and outreach opportunities that prepare researchers to efficiently use its leadership computing systems, while also cultivating a diverse and skilled HPC workforce for the future.

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    Accelerating Science

    The Argonne Leadership Computing Facility enables breakthroughs in science and engineering by providing supercomputing resources and expertise to the research community.

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Tokenization for Molecular Foundation Models

Publications Journal of Chemical Information and Modeling

Rapid, Accurate, and Reproducible De Novo Prediction of Resistance to Antituberculars

Publications Clinical Microbiology

Multi-agentic AI Framework for End-to-End Atomistic Simulations

Publications Digital Discovery

LAMMPS-KOKKOS: Performance Portable Molecular Dynamics Across Exascale Architectures

Publications SC Workshops '25: Proceedings of the SC '25 Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis

Sequence Modeling of Higher-Order Wave Modes of Quasi-Circular, Spinning, Non-Precessing Binary Black Hole Mergers

Publications Classical and Quantum Gravity

Radio Afterglow Detection and AI-Driven Response (RADAR): A Federated Framework for Gravitational-Wave Event Follow-Up

Publications The Astrophysical Journal Supplement Series

Context Length Alone Hurts LLM Performance Despite Perfect Retrieval

Publications 2025 Conference on Empirical Methods in Natural Language Processing (EMNLP 2025)

Toward a Persistent Event-Streaming System for High-Performance Computing Applications

Publications Frontiers in High Performance Computing

Photochemical CO2 Reduction by a Postsynthetically Modified Zr-MOF

Publications Inorganic Chemistry

Resolving Turbulent Magnetohydrodynamics: A Hybrid Operator-Diffusion Framework

Publications Machine Learning: Science and Technology

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