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RESEARCH PAPER · Journal of Catalysis · 2025

From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks

Aditya Nandy

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6 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-14 · complete coverage
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From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworksOriginalFunctional multi-nuclear copper complexes containing N and O ligands: Syntheses, crystal structures, and DNA binding studies0Distilling Knowledge from Catalysis Literature with Long-Context Large Language Model Agents24Large Language Models (LLMs) for Materials Design14Foundation models for atomistic simulation of chemistry and materials32The rise of generative AI for metal-organic framework design and synthesis21GFN1-xTB-Assisted Machine Learning for Electronic Structure Screening of Metal–Organic Frameworks0

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  1. Functional multi-nuclear copper complexes containing N and O ligands: Syntheses, crystal structures, and DNA binding studies

    Journal of Molecular Structure · 2025-09-20

    Yunkai Sun, Qingqing Song, Meng Cao, Chunhong Tan, Xiao‐Feng Wang, Ke‐Jie Du, Yuheng Zhang, Yi Ding, Xiaoqiang Xue

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  2. Distilling Knowledge from Catalysis Literature with Long-Context Large Language Model Agents

    ACS Catalysis · 2025-10-20

    Honghao Chen, Hongxuan Liu, Yishen Tew, Xiaotian Ren, Xiaojin Tang, Xiaonan Wang

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  3. Large Language Models (LLMs) for Materials Design

    Advanced Functional Materials · 2025-12-16

    Lei Zhang, Zhaorui Liu, Ben Ni, Quan Wang

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  4. Foundation models for atomistic simulation of chemistry and materials

    Nature Reviews Chemistry · 2026-02-11

    Eric Chung‐Yueh Yuan, Yunsheng Liu, Junmin Chen, Peichen Zhong, Sanjeev Raja, Tobias Kreiman, Santiago Vargas, Wenbin Xu, Martin Head‐Gordon, Chao Yang, Samuel M. Blau, Bingqing Cheng, Aditi S. Krishnapriyan, Teresa L. Head-Gordon

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  5. The rise of generative AI for metal-organic framework design and synthesis

    Matter · 2026-03-30

    Chenru Duan, Aditya Nandy, Shyam Chand Pal, Xin Yang, Wenhao Gao, Yuanqi Du, Hendrik Kraß, Yeonghun Kang, Varinia Bernales, Zongyu Ye, Tristan Pyle, Ray Yeng Yang, Zeqi Gu, Philippe Schwaller, Shengqian Ma, Shijing Sun, Alán Aspuru‐Guzik, Seyed Mohamad Moosavi, Robert B. Wexler, Zhiling Zheng

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  6. GFN1-xTB-Assisted Machine Learning for Electronic Structure Screening of Metal–Organic Frameworks

    Journal of Chemical Theory and Computation · 2026-08-11

    Ashna Jose, Aron Walsh

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