Artificial Intelligence Paradigms for Next-Generation Metal-Organic Framework Research.

IF 14.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of the American Chemical Society Pub Date : 2025-06-24 DOI:10.1021/jacs.5c08214

Aydin Ozcan,François-Xavier Coudert,Sven M J Rogge,Greta Heydenrych,Dong Fan,Antonios P Sarikas,Seda Keskin,Guillaume Maurin,George E Froudakis,Stefan Wuttke,Ilknur Erucar

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引用次数: 0

Abstract

After the development of the famous "Transformer" network architecture and the meteoric rise of artificial intelligence (AI)-powered chatbots, large language models (LLMs) have become an indispensable part of our daily activities. In this rapidly evolving era, "all we need is attention" as Google's famous transformer paper's title [Vaswani et al., Adv. Neural Inf. Process. Syst. 2017, 30] implies: We need to focus on and give "attention" to what we have at hand, then consider what we can do further. What can LLMs offer for immediate short-term adaptation? Currently, the most common applications in metal-organic framework (MOF) research include automating literature reviews and data extraction to accelerate the material discovery process. In this perspective, we discuss the latest developments in machine-learning and deep-learning research on MOF materials and reflect on how their utilization has evolved within the LLM domain from this standpoint. We finally explore future benefits to accelerate and automate materials development research.

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下一代金属有机框架研究的人工智能范式。

随着著名的“变形金刚”网络架构的发展和人工智能（AI）聊天机器人的迅速崛起，大型语言模型（llm）已经成为我们日常活动中不可或缺的一部分。在这个快速发展的时代，“我们所需要的只是关注”是b谷歌著名的变压器论文的标题[Vaswani et al., ad . Neural Inf. Process]。Syst. 2017,30]意味着：我们需要关注并“关注”手头上的东西，然后考虑我们可以进一步做什么。法学硕士能为短期适应提供什么？目前，在金属有机框架（MOF）研究中最常见的应用包括自动化文献综述和数据提取，以加速材料发现过程。从这个角度来看，我们讨论了MOF材料的机器学习和深度学习研究的最新进展，并从这个角度反思了它们在法学硕士领域的应用是如何演变的。我们最后探索未来的好处，以加速和自动化材料开发研究。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of the American Chemical Society 化学-化学综合

CiteScore

24.40

自引率

6.00%

发文量

2398

审稿时长

1.6 months

期刊介绍： The flagship journal of the American Chemical Society, known as the Journal of the American Chemical Society (JACS), has been a prestigious publication since its establishment in 1879. It holds a preeminent position in the field of chemistry and related interdisciplinary sciences. JACS is committed to disseminating cutting-edge research papers, covering a wide range of topics, and encompasses approximately 19,000 pages of Articles, Communications, and Perspectives annually. With a weekly publication frequency, JACS plays a vital role in advancing the field of chemistry by providing essential research.