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English(EN) An Agentic Orchestration of Atomistic Simulations

新代理系统可自动执行复杂的原子模拟

研究人员开发了一个基于代理的系统,该系统集成到URSA框架中,旨在自动执行复杂的多步原子模拟。该系统能够自主选择原子间势能、构建和执行模拟,并执行迭代误差恢复。通过与LAMMPS和VASP的LAVA等成熟工具包进行基准测试,证明了该代理的科学可靠性,减少了手动干预,并提高了原子建模的严谨性和可重复性。 AI

影响 自动化复杂的科学工作流程,可能加速材料设计和发现。

排序理由 该集群包含一篇研究论文,详细介绍了一种用于自动执行原子模拟的新代理系统。[lever_c_demoted from research: ic=1 ai=1.0]

在 arXiv cs.AI 阅读 →

AI 生成摘要 · Google Gemini · 来自 1 个来源。 我们如何撰写摘要 →

新代理系统可自动执行复杂的原子模拟

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该集群包含一篇研究论文,详细介绍了一种用于自动执行原子模拟的新代理系统。[lever_c_demoted from research: ic=1 ai=1.0]
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报道来源 [1]

  1. arXiv cs.AI TIER_1 English(EN) · Rahul Somasundaram, Adela Habib, Khanh Dang, Sachin Shivakumar, Ryley G. Hill, Golo Wimmer, Avanish Mishra, Aleksandra Pachalieva, Arthur Lui, Hari Viswanathan, Michael Grosskopf, Saryu Fensin, Russell Bent, Nathan DeBardeleben, Earl Lawrence ·

    原子模拟的代理编排

    arXiv:2607.22596v1 Announce Type: new Abstract: Atomistic simulations are central to materials design, but their execution involves complex, multi-step workflows that require significant human expertise. Here, we present an agent-based system embedded within the URSA (Universal R…