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20202026
most citedAllegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization

3 citations · 3 across the 4 of their papers we have counts for

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cs.CE2026

Toward Exascale AI for Science: A Scalable AI Skill for Autonomous Microkinetics Discovery

Ken-ichi Nomura, William Dawson, Nabankur Dasgupta +4

We present a scalable AI-driven framework that advances autonomous scientific discovery by combining agentic workflow automation, high-performance computing, and scientific surroga…