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Author

Murat Keçeli

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Sep 2026

EAIRA: Establishing a methodology for evaluating LLMs as scientific research assistants

Recent advancements have positioned AI, and particularly Large Language Models (LLMs) as transformative tools for scientific research, capable of addressing complex tasks that require reasoning, problem-solving, and decision-making. Their exceptional capabilities suggest their potential as scientific research assistant...

Franck Cappello, Sandeep Madireddy, Robert Underwood et al. · 0 citations

An Agentic Evaluation Framework for AI-Generated Scientific Code in PETSc

PETSCAgent-Bench is introduced, a multidimensional benchmark and agent-based framework for assessing whether AI-generated scientific code uses a production HPC library as an expert would and combines deterministic checks with LLM-based assessments.

Hong Zhang, Barry Smith, S. Balay et al. · 2 citations
Book Jul 2026

Improving Usability and Productivity of PETSc with Agent-Based Workflows

This work position PETSc as a domain-aware component in multi-step AI workflows that span question answering, code development, execution, and verification, and describes the infrastructure and prototype services that support these capabilities and outline their potential to enable more effective, reliable, and scalabl...

Barry Smith, Hong Zhang, Junchao Zhang et al. · 1 citation
Preprint Jul 2026

Overcoming Orchestration Bottlenecks at Exascale: A Decentralized, Policy-Driven Approach for Sim-AI Ensembles

EnsembleLauncher is introduced, a recursively hierarchical workflow orchestrator for exascale systems, featuring a fully decentralized control plane and a programmable scheduling policy interface that outperforms state-of-the-art tools by more than four times.

Harikrishna Tummalapalli, Christine M. Simpson, Riccardo Balin et al. · 0 citations

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