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RESEARCH PAPER · ChemPhysMater · 2021

Recent advances in autonomous synthesis of materials

Yucen Li, Lingling Xia, Yi‐Ming Fan, Qinyue Wang, Ming Zhe Hu

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Recent advances in autonomous synthesis of materialsOriginalEmerging nanosensor platforms and machine learning strategies toward rapid, point-of-need small-molecule metabolite detection and monitoring62Bayesian optimization with experimental failure for high-throughput materials growth53Ferrocene-induced switchable preparation of metal-nonmetal codoped tungsten nitride and carbide nanoarrays for electrocatalytic HER in alkaline and acid media43Emerging dual-atomic-site catalysts for electrocatalytic CO2 reduction71Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis8313 C—C Bond Formation in Flow Systems Through Cross-Dehydrogenative Coupling0Real-Time Diagnostics of 2D Crystal Transformations by Pulsed Laser Deposition: Controlled Synthesis of Janus WSSe Monolayers and Alloys76Phosphor-aluminosilicate CsPbX3 perovskite fluorescent glass with low formation temperature for photoluminescence display applications2Multistep automated synthesis of pharmaceuticals25Computer-Aided Synthesis Planning for Biocatalysis0Ranking Pareto optimal solutions based on projection free energy6In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science99Communicating Supraparticles to Enable Perceptual, Information‐Providing Matter11Machine learning–assisted colloidal synthesis: A review39Automated kinetic model identification via cloud services using model-based design of experiments13Co-orchestration of multiple instruments to uncover structure–property relationships in combinatorial libraries11Unraveling the impact of initial choices and in-loop interventions on learning dynamics in autonomous scanning probe microscopy8Toward Making Polymer Chemistry Autonomous24Autonomous Synthesis of Thin Film Materials with Pulsed Laser Deposition Enabled by In Situ Spectroscopy and Automation42Multimodal Co-orchestration for Exploring Structure-Property Relationships in Combinatorial Libraries via Multi-Task Bayesian Optimization3Top 20 influential AI-based technologies in chemistry50Bayesian Conavigation: Dynamic Designing of the Material Digital Twins via Active Learning17Exploring the potential of simple automation concepts for quantifying functional groups on nanomaterials with optical assays6Toward Accelerating Discovery via Physics-Driven and Interactive Multifidelity Bayesian Optimization3Solution-synthesized nanostructured materials with high thermoelectric performance6AI-driven innovations in smart multifunctional nanocarriers for drug and gene delivery: A mini-review7569Chapter 4 The autonomous revolution: role of AI in self-driving labs for materials sciences2Extrapolative prediction of polymer properties using physics-informed hierarchical descriptors4Autonomous Nanoparticle Synthesis Guided by In Situ Multiscale Structural Characterization6Validated workflows for preparing and characterizing core-stained and surface-labeled fluorescent polymer particles with simple commercial automation tools0Building tomorrow’s medicines: how robotic synthesis is actualizing AI’s drug discovery promise0High-Throughput Methods in Materials Science (Part I): A Review of Chemical and Physical Methods and Automated Sample Logistics0Defect engineering of semiconductor photocatalysts for solar energy conversion: from atomic-level design to AI-driven materials discovery for sustainable development and clean energy0

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  1. Emerging nanosensor platforms and machine learning strategies toward rapid, point-of-need small-molecule metabolite detection and monitoring

    Chemical Science · 2022-01-01

    Shi Xuan Leong, Yong Xiang Leong, Charlynn Sher Lin Koh, Emily Xi Tan, Lam Bang Thanh Nguyen, Jaslyn Ru Ting Chen, Carice Chong, Desmond Wei Cheng Pang, Howard Yi Fan Sim, Xiaochen Liang, Nguan Soon Tan, Xing Yi Ling

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  2. Bayesian optimization with experimental failure for high-throughput materials growth

    npj Computational Materials · 2022-08-23

    Yuki K. Wakabayashi, Takuma Otsuka, Yoshiharu Krockenberger, Hiroshi Sawada, Yoshitaka Taniyasu, Hideki Yamamoto

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  3. Ferrocene-induced switchable preparation of metal-nonmetal codoped tungsten nitride and carbide nanoarrays for electrocatalytic HER in alkaline and acid media

    Nano Research · 2022-09-02

    Jian Zhou, Fanfan Wang, Haiqing Wang, Shu‐Xian Hu, Weijia Zhou, Hong Liu

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  4. Emerging dual-atomic-site catalysts for electrocatalytic CO2 reduction

    Science China Materials · 2022-10-12

    Na Qiu, Junjun Li, Haiqing Wang, Zhicheng Zhang

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  5. Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis

    ACS Nano · 2022-11-15

    Ruoxi Yang, Caitlin A. McCandler, Oxana Andriuc, Martin Siron, Rachel Woods‐Robinson, Matthew K. Horton, Kristin Aslaug Persson

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  6. 13 C—C Bond Formation in Flow Systems Through Cross-Dehydrogenative Coupling

    Haug Verlag in Georg Thieme Verlag KG eBooks · 2023-01-01

    Guilherme M. Martins, Rodrigo C. Silva, Geórgia C. Zimmer, Timothy J. Brocksom, Kleber Thiago de Oliveira

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  7. Real-Time Diagnostics of 2D Crystal Transformations by Pulsed Laser Deposition: Controlled Synthesis of Janus WSSe Monolayers and Alloys

    ACS Nano · 2023-01-17

    Sumner B. Harris, Yu‐Chuan Lin, Alexander A. Puretzky, Liangbo Liang, Ondrej Dyck, Tom Berlijn, Gyula Eres, Christopher M. Rouleau, Kai Xiao, David B. Geohegan

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  8. Phosphor-aluminosilicate CsPbX3 perovskite fluorescent glass with low formation temperature for photoluminescence display applications

    ChemPhysMater · 2023-03-23

    Bin Liu, Jinkai Li, Bingqiang Cao, Lei Zhang, Zongming Liu

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  9. Multistep automated synthesis of pharmaceuticals

    Trends in Chemistry · 2023-04-21

    Wang Gan, Hwee Ting Ang, Srinivas Reddy Dubbaka, Patrick O’Neill, Jie Wu

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  10. Computer-Aided Synthesis Planning for Biocatalysis

    Elsevier eBooks · 2023-05-17

    William Finnigan

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  11. Ranking Pareto optimal solutions based on projection free energy

    Physical Review Materials · 2023-09-19

    Ryo Tamura, Kei Terayama, Masato Sumita, Koji Tsuda

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  12. In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science

    Journal of the American Chemical Society · 2023-09-27

    Joshua Schrier, Alexander J. Norquist, Tonio Buonassisi, Jakoah Brgoch

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  13. Communicating Supraparticles to Enable Perceptual, Information‐Providing Matter

    Advanced Materials · 2023-10-02

    Jakob Reichstein, Stephan Müssig, Susanne Wintzheimer, Karl Sebastian Mandel

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  14. Machine learning–assisted colloidal synthesis: A review

    Materials Today Chemistry · 2023-12-07

    Dayana Gulevich, Igor R. Nabiev, Pavel S. Samokhvalov

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  15. Automated kinetic model identification via cloud services using model-based design of experiments

    Reaction Chemistry & Engineering · 2024-01-01

    Emmanuel Agunloye, Panagiotis Petsagkourakis, Muhammad Yusuf, Ricardo Labes, Thomas William Chamberlain, Frans L. Muller, Richard A. Bourne, Federico Galvanin

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  16. Co-orchestration of multiple instruments to uncover structure–property relationships in combinatorial libraries

    Digital Discovery · 2024-01-01

    Boris N. Slautin, Utkarsh Pratiush, Ilia N. Ivanov, Yongtao Liu, Rohit Kumar Pant, Xiaohang Zhang, Ichiro Takeuchi, Maxim A Ziatdinov, Sergei V. Kalinin

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  17. Unraveling the impact of initial choices and in-loop interventions on learning dynamics in autonomous scanning probe microscopy

    Journal of Applied Physics · 2024-04-15

    Boris N. Slautin, Yongtao Liu, Hiroshi Funakubo, Sergei V. Kalinin

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  18. Toward Making Polymer Chemistry Autonomous

    ACS Applied Engineering Materials · 2024-04-18

    Sayan Basak, Abhijit Bandyopadhyay

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  19. Autonomous Synthesis of Thin Film Materials with Pulsed Laser Deposition Enabled by In Situ Spectroscopy and Automation

    Small Methods · 2024-04-28

    Sumner B. Harris, Arpan Biswas, Seok Joon Yun, Kevin M. Roccapriore, Christopher M. Rouleau, Alexander A. Puretzky, Rama Krishnan Vasudevan, David B. Geohegan, Kai Xiao

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  20. Multimodal Co-orchestration for Exploring Structure-Property Relationships in Combinatorial Libraries via Multi-Task Bayesian Optimization

    Microscopy and Microanalysis · 2024-07-01

    Sergei V. Kalinin, Boris N. Slautin, Utkarsh Pratiush, Ilia N. Ivanov, Yongtao Liu, Rohit Kumar Pant, Xiaohang Zhang, Ichiro Takeuchi, Maxim A Ziatdinov

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  21. Top 20 influential AI-based technologies in chemistry

    Artificial Intelligence Chemistry · 2024-07-27

    Valentine P. Ananikov

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  22. Bayesian Conavigation: Dynamic Designing of the Material Digital Twins via Active Learning

    ACS Nano · 2024-08-26

    Boris N. Slautin, Yongtao Liu, Hiroshi Funakubo, Rama Krishnan Vasudevan, Maxim A Ziatdinov, Sergei V. Kalinin

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  23. Exploring the potential of simple automation concepts for quantifying functional groups on nanomaterials with optical assays

    Nano Research · 2024-09-14

    Isabella Tavernaro, Anna A. Matiushkina, Kai Simon Rother, Celina Mating, Ute Resch‐Genger

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  24. Toward Accelerating Discovery via Physics-Driven and Interactive Multifidelity Bayesian Optimization

    Journal of Computing and Information Science in Engineering · 2024-10-14

    Arpan Biswas, Mani Valleti, Rama Krishnan Vasudevan, Maxim A Ziatdinov, Sergei V. Kalinin

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  25. Solution-synthesized nanostructured materials with high thermoelectric performance

    Nanoscale · 2025-01-01

    Pengfei Xu, Kangpeng Jin, Jie Huang, Zhenhua Yan, Liangwei Fu, Biao Xu

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  26. AI-driven innovations in smart multifunctional nanocarriers for drug and gene delivery: A mini-review

    Critical Reviews in Oncology/Hematology · 2025-03-12

    Hamid Noury, Abbas Rahdar, Luiz Fernando Romanholo Ferreira, Zahra Jamalpoor

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  27. 69Chapter 4 The autonomous revolution: role of AI in self-driving labs for materials sciences

    De Gruyter eBooks · 2025-06-25

    Neha Minocha, Parijat Pandey

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  28. Extrapolative prediction of polymer properties using physics-informed hierarchical descriptors

    Applied Physics Letters · 2025-12-08

    Hiroto Yokoyama, Takahiro Umemoto, Akiko Kumada, Masahiro Sato

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  29. Autonomous Nanoparticle Synthesis Guided by In Situ Multiscale Structural Characterization

    Journal of the American Chemical Society · 2025-12-24

    Hyeong Jin Kim, Matthew R. Carbone, Fang Lu, Xiaohui Qu, Kristofer Reyes, Honghu Zhang, Lihua Zhang, Oleg Gang, Yugang Zhang

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  30. Validated workflows for preparing and characterizing core-stained and surface-labeled fluorescent polymer particles with simple commercial automation tools

    Analytical and Bioanalytical Chemistry · 2026-03-18

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  31. Building tomorrow’s medicines: how robotic synthesis is actualizing AI’s drug discovery promise

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  32. High-Throughput Methods in Materials Science (Part I): A Review of Chemical and Physical Methods and Automated Sample Logistics

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  33. Defect engineering of semiconductor photocatalysts for solar energy conversion: from atomic-level design to AI-driven materials discovery for sustainable development and clean energy

    Materials & Design · 2026-09-08

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