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RESEARCH PAPER · Nature Synthesis · 2024

Optimal thermodynamic conditions to minimize kinetic by-products in aqueous materials synthesis

Zheren Wang, Yingzhi Sun, Kevin Cruse, Yan Zeng, Yuxing Fei, Zexuan Liu, Junyi Shangguan, Young‐Woon Byeon, KyuJung Jun, Tanjin He, Wenhao Q. Sun, Gerbrand Ceder

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42 direct citing works

Optimal thermodynamic conditions to minimize kinetic by-products in aqueous materials synthesisOriginalThe promise and pitfalls of AI for molecular and materials synthesis22AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories33Pivotal role of the Pourbaix diagram in electrocatalysis26Current trends and advancements in crystallization and single-crystal structural analysis of small molecules45A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes16When Metal Nanoclusters Meet Smart Synthesis31Rapid synthesis of metastable materials for electrocatalysis45A Universal Solution for Direct Regeneration of Spent Lithium Iron Phosphate65How to accelerate the inorganic materials synthesis: from computational guidelines to data-driven method?9Water-in-Salt Solution for Direct Regeneration of Degraded Lithium Iron Phosphate39Accelerating and Enhancing Thermodynamic Simulations of Electrochemical Interfaces16Artificial Intelligence for Materials Discovery, Development, and Optimization170Toward data-driven predictive modeling of electrocatalyst stability and surface reconstruction24Advances in metastable phase catalysis with thermodynamic-kinetic adaptability13Machine learning and high-throughput computation-assisted precise synthesis of quantum dots for reliable neuromorphic computing13Identification of Impurity-Minimizing Synthesis Pathways for LAGP via Thermodynamic and Chemical Reaction Network-Based Analysis0Hydrothermal engineering of self-supported nickel sulfide–selenide–sulfoselenide electrocatalysts for hydrogen evolution in acidic and alkaline media0Informatics for thermodynamics: Stability to synthesizability0Thermodynamic assessment of machine learning models for solid-state synthesis prediction0Bridging theory and experiment in materials discovery: Machine-learning-assisted prediction of synthesizable structures3Thermodynamic modelling of microwave-assisted solvothermal synthesis of nanocrystalline metal oxides0How Chloride Ions Catalyze the Hydrothermal Synthesis of Copper Nanocrystals3Microwave-Assisted Rapid Synthesis of Metallic Iron Nanoparticles from Triiron Dodecacarbonyl1Selective iodoplumbate cold casting for kinetically stabilized perovskites leading to high-efficiency photovoltaic modules2An Investigation into the Kinetic Persistence of TiO2 Polymorphs Using Machine-Learning-Driven Pathfinding in Crystal Configuration Space0Towards a chemistry genome0

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26 direct citing papers saved.

  1. The promise and pitfalls of AI for molecular and materials synthesis

    Nature Computational Science · 2023-05-18

    Nicholas David, Wenhao Q. Sun, Connor W. Coley

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  2. AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories

    Digital Discovery · 2024-01-01

    Yuxing Fei, Bernardus Rendy, Rishi E. Kumar, O. Dartsi, Hrushikesh P. Sahasrabuddhe, Matthew J. McDermott, Zheren Wang, Nathan J. Szymanski, Lauren N. Walters, David Milsted, Yan Zeng, Anubhav Jain, Gerbrand Ceder

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  3. Pivotal role of the Pourbaix diagram in electrocatalysis

    Journal of Materials Chemistry A · 2024-01-01

    Qian Wu, Zhichuan Jason Xu

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  4. Current trends and advancements in crystallization and single-crystal structural analysis of small molecules

    Coordination Chemistry Reviews · 2024-06-25

    Yuntian Xiao, Chuanhua Wu, Ling Yi Zhou, Patrick Commins, Liang Li, Pancě Naumov, Qiuxiang Yin

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  5. A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes

    Faraday Discussions · 2024-08-13

    Wenhao Q. Sun, Nicholas David

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  6. When Metal Nanoclusters Meet Smart Synthesis

    ACS Nano · 2024-09-24

    Zhucheng Yang, Anye Shi, Ruixuan Zhang, Zuowei Ji, Jiali Li, Jingkuan Lyu, Jing Qian, Tiankai Chen, Xiaonan Wang, Fengqi You, Jianping Xie

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  7. Rapid synthesis of metastable materials for electrocatalysis

    Chemical Society Reviews · 2025-01-01

    Qiao Chen, Zichao Xi, Ziyuan Xu, Minghui Ning, Huimin Yu, Yuanmiao Sun, Dawei Wang, Ali Sami Alnaser, Huanyu Jin, Hui–Ming Cheng

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  8. A Universal Solution for Direct Regeneration of Spent Lithium Iron Phosphate

    Advanced Materials · 2025-02-23

    Jie Tang, Haotian Qu, Chongbo Sun, Xiao Xiao, Haocheng Ji, Junxiong Wang, Junfeng Li, Guanjun Ji, Xuan Zhang, Hui–Ming Cheng, Guangmin Zhou

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  9. How to accelerate the inorganic materials synthesis: from computational guidelines to data-driven method?

    National Science Review · 2025-02-27

    Yilei Wu, Xiangyang Li, Rong Guo, Rui Xu, Ming‐Gang Ju, Jinlan Wang

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  10. Water-in-Salt Solution for Direct Regeneration of Degraded Lithium Iron Phosphate

    Journal of the American Chemical Society · 2025-07-03

    Jie Tang, Bosi Huang, Xiao Xiao, Haotian Qu, Ya Kun Song, Junfeng Li, Yanze Song, Haocheng Ji, Junxiong Wang, Yanfei Zhu, Guangmin Zhou

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  11. Accelerating and Enhancing Thermodynamic Simulations of Electrochemical Interfaces

    ACS Central Science · 2025-07-21

    Xiaochen Du, Mengren Bill Liu, Jiayu Peng, Hoje Chun, Alexander J. Hoffman, Bilge Yildiz, Lin Li, Martin Z. Bazant, Rafael Gómez‐Bombarelli

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  12. Artificial Intelligence for Materials Discovery, Development, and Optimization

    ACS Nano · 2025-07-25

    Benediktus Madika, Aditi Saha, Chaeyul Kang, Batzorig Buyantogtokh, Joshua Agar, Chris M. Wolverton, Peter W. Voorhees, P. B. Littlewood, Sergei V. Kalinin, Seungbum Hong

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  13. Toward data-driven predictive modeling of electrocatalyst stability and surface reconstruction

    The Journal of Chemical Physics · 2025-07-28

    Jiayu Peng

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  14. Advances in metastable phase catalysis with thermodynamic-kinetic adaptability

    Materials Today · 2025-09-11

    Yuanming Zhang, Yang Li, Yang Li, Yong Chen, Xiaoming Xu, Zhonghua Li, Zhonghua Li, Tianxi Zhang, Wei Li Ong, Sergey M. Kozlov, Zhigang Zou, Ghim Wei Ho, Zhaosheng Li, Zhaosheng Li

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  15. Machine learning and high-throughput computation-assisted precise synthesis of quantum dots for reliable neuromorphic computing

    Science China Materials · 2025-09-11

    Zhiqing Wang, Keqiang Chen, Qiao Wang, Jing Yang, Zhi Qin, Yang Hu, Jie Shen, Pengchao Zhang, Jing Zhou, Wen Chen

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  16. Identification of Impurity-Minimizing Synthesis Pathways for LAGP via Thermodynamic and Chemical Reaction Network-Based Analysis

    The Journal of Physical Chemistry C · 2025-10-03

    Su Yeon Jang, Dong Won Jeon, Hyeon Woo Kim, Jin‐Sung Park, Sung Beom Cho

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  17. Hydrothermal engineering of self-supported nickel sulfide–selenide–sulfoselenide electrocatalysts for hydrogen evolution in acidic and alkaline media

    Journal of Materials Chemistry A · 2026-01-01

    Mateusz Szczerba, Olga Chernyayeva, Daniel Piecha, Grzegorz Dariusz Sulka

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  18. Informatics for thermodynamics: Stability to synthesizability

    Elsevier eBooks · 2026-01-01

    Krishna Rajan

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  19. Thermodynamic assessment of machine learning models for solid-state synthesis prediction

    Materials Horizons · 2026-01-01

    Jane Schlesinger, Simon Hjaltason, Nathan J. Szymanski, Christopher J. Bartel

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  20. Bridging theory and experiment in materials discovery: Machine-learning-assisted prediction of synthesizable structures

    Physical review. B./Physical review. B · 2026-01-12

    YU Xin, P. Liu, Zhuohang Xie, Wenhui Mi, Pengyue Gao, Hong Jian Zhao, Jian Lv, Yanchao Wang, Yanming Ma

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  21. Thermodynamic modelling of microwave-assisted solvothermal synthesis of nanocrystalline metal oxides

    Journal of the Indian Chemical Society · 2026-02-11

    Sukanya Dhar, Shalini Kandoor, K. J. Jomon, S. A. Shivashankar

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  22. How Chloride Ions Catalyze the Hydrothermal Synthesis of Copper Nanocrystals

    Inorganic Chemistry · 2026-02-17

    C. T. Lin, Tan Zhang

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  23. Microwave-Assisted Rapid Synthesis of Metallic Iron Nanoparticles from Triiron Dodecacarbonyl

    Nanomaterials · 2026-03-13

    Ehsan Ezzatpour Ghadim, Yisong Han, Festus Mathuen Slade

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  24. Selective iodoplumbate cold casting for kinetically stabilized perovskites leading to high-efficiency photovoltaic modules

    Nature Synthesis · 2026-05-12

    Yeoun‐Woo Jang, Seungmin Lee, 유용석, Isaac Metcalf, Hee Jeong Park, Byeongjun Gil, Jihun Jang, Faiz Mandani, Jared D. Fletcher, Byungsoo Kang, Jianlin Zhou, Oui Jin Oh, Seunghwan Bae, M W Kim, Jun Hong Noh, Mercouri G. Kanatzidis, Jacky Even, M. Y. Choi, Aditya D. Mohite

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  25. An Investigation into the Kinetic Persistence of TiO2 Polymorphs Using Machine-Learning-Driven Pathfinding in Crystal Configuration Space

    Journal of Chemical Theory and Computation · 2026-08-31

    Max C. Gallant, David Mrdjenovich, Kristin Aslaug Persson

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  26. Towards a chemistry genome

    Nature Computational Science · 2026-09-30

    Thomas Bligaard, Benjamin Thomas Hinrichsen

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