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RESEARCH PAPER · Digital Discovery · 2023

Integrating autonomy into automated research platforms

Richard B. Canty, Brent A. Koscher, Matthew A. McDonald, Klavs F. Jensen

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42 direct citing works

Integrating autonomy into automated research platformsOriginalAutonomous, multiproperty-driven molecular discovery: From predictions to measurements and back172Autonomous reaction self-optimization using in-line high-field NMR spectroscopy10Knowledge Graphs for Materials Discovery: Data Structuring, Reasoning, and Applications0Transforming research laboratories with connected digital twins19Closing the Execution Gap in Generative AI for Chemicals and Materials: Freeways or Safeguards7Machine learning in drug delivery82Computer-Aided Retrosynthesis for Greener and Optimal Total Synthesis of a Helicase-Primase Inhibitor Active Pharmaceutical Ingredient20Reproducibility in automated chemistry laboratories using computer science abstractions28Automating care by self-maintainability for full laboratory automation9Autonomous Laboratories and Closed-Loop Materials Discovery: A Conceptual Framework for Self-Driving Experimentation0Data-scientific validation of prediction models for the controlled syntheses of exfoliated nanosheets1Democratizing self-driving labs: advances in low-cost 3D printing for laboratory automation25Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis48Science acceleration and accessibility with self-driving labs83In-depth Integration of Control Systems and Automation Technologies in Digital Factories0Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective14Optimized Machine Learning for Autonomous Enzymatic Reaction Intensification in a Self‐Driving Lab14Human-AI collaboration in chemical engineering0Automated navigation of condensate phase behavior with active machine learning7Autonomous catalysis research with human–AI–robot collaboration37Artificial Intelligence-Guided Pulsed Synthesis of Zinc Oxide Nanostructures on Thin Metal Shells4AI-Driven Prediction of Nanoproperties for Sustainable Oil and Gas Drilling0Can we automate scientific reasoning in closed-loop experiments using large language models?4Combinatorial to autonomous experimentation0Do Self-Driving Laboratories Accelerate Discovery or Automate Uncertainty, Bias, and Irreproducible Decisions?0Toward self-driving laboratory 2.0 for chemistry and materials discovery15Machine Learning and Autonomous Systems for Accelerated Synthesis1The ADePT framework for assessing autonomous laboratory robotics8Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows5Operating advanced scientific instruments with AI agents that learn on the job6Intelligent Clustering Algorithm Enables Accurate Construction of Datasets for Autonomous Driving Error Intervention Scenarios0Materials by machines: A review on intuition and knowledge-driven learning for rapid discovery and optimization0

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32 direct citing papers saved.

  1. Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back

    Science · 2023-12-21

    Brent A. Koscher, Richard B. Canty, Matthew A. McDonald, Kevin P. Greenman, Charles J. McGill, Camille Bilodeau, Wengong Jin, Haoyang Wu, Florence H. Vermeire, Brooke Jin, Travis Hart, Timothy Kulesza, Shih‐Cheng Li, Tommi Jaakkola, Regina Barzilay, Rafael Gómez‐Bombarelli, William H. Green, Klavs F. Jensen

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  2. Autonomous reaction self-optimization using in-line high-field NMR spectroscopy

    Reaction Chemistry & Engineering · 2024-01-01

    Nour El Sabbagh, Margherita Bazzoni, Yuliia Horbenko, Aurélie Bernard, Daniel Cortés‐Borda, Patrick Giraudeau, François‐Xavier Felpin, Jean‐Nicolas Dumez

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  3. Knowledge Graphs for Materials Discovery: Data Structuring, Reasoning, and Applications

    Journal of Computational and Data-Driven Materials Engineering · 2024-01-01

    Maria Hernandez, Carlos Vega

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  4. Transforming research laboratories with connected digital twins

    Nexus · 2024-02-05

    Simon D. Rihm, Jiaru Bai, Aleksandar Kondinski, Sebastian Mosbach, Jethro Akroyd, Markus Kraft

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  5. Closing the Execution Gap in Generative AI for Chemicals and Materials: Freeways or Safeguards

    Unknown journal · 2024-03-27

    Akshay Subramanian, Wenhao Gao, Regina Barzilay, Jeffrey C. Grossman, Tommi Jaakkola, Stefanie Jegelka, Mingda Li, Ju Li, Wojciech Matusik, Elsa Olivetti, Connor W. Coley, Rafael Gómez‐Bombarelli

    Read original paper ↗ ·

  6. Machine learning in drug delivery

    Journal of Controlled Release · 2024-06-26

    Adam J. Gormley

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  7. Computer-Aided Retrosynthesis for Greener and Optimal Total Synthesis of a Helicase-Primase Inhibitor Active Pharmaceutical Ingredient

    JACS Au · 2024-10-02

    Rodolfo I. Teixeira, Michael Andresini, Renzo Luisi, Brahim Benyahia

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  8. Reproducibility in automated chemistry laboratories using computer science abstractions

    Nature Synthesis · 2024-10-10

    Richard B. Canty, Milad Abolhasani

    Read original paper ↗ ·

  9. Automating care by self-maintainability for full laboratory automation

    Digital Discovery · 2025-01-01

    Koji Ochiai, Yuya Tahara-Arai, Akari Kato, Kazunari Kaizu, Hirokazu Kariyazaki, Makoto Umeno, Koichi Takahashi, Genki N. Kanda, Haruka Ozaki

    Read original paper ↗ ·

  10. Autonomous Laboratories and Closed-Loop Materials Discovery: A Conceptual Framework for Self-Driving Experimentation

    Journal of Computational and Data-Driven Materials Engineering · 2025-01-01

    Thabo Nkosi, Lerato Molefe, Sipho Dlamini, Ayanda Mokoena, Kabelo Ndlovu

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  11. Data-scientific validation of prediction models for the controlled syntheses of exfoliated nanosheets

    Nanoscale Advances · 2025-01-01

    Yuka Kitamura, Yuki Namiuchi, Hiroaki Imai, Yasuhiko Igarashi, Yuya Oaki

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  12. Democratizing self-driving labs: advances in low-cost 3D printing for laboratory automation

    Digital Discovery · 2025-01-01

    Sayan Doloi, Maloy Das, Yujia Li, Zen Han Cho, Xingchi Xiao, John V. Hanna, Matthew Osvaldo, Leonard W. T. Ng

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  13. Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis

    Nature Catalysis · 2025-01-29

    Christoph Scheurer, Karsten Reuter

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  14. Science acceleration and accessibility with self-driving labs

    Nature Communications · 2025-04-24

    Richard B. Canty, Jeffrey A. Bennett, Keith A. Brown, Tonio Buonassisi, Sergei V. Kalinin, John R. Kitchin, Benji Maruyama, R. G. Moore, Joshua Schrier, Martin T. Seifrid, Shijing Sun, Tejs Vegge, Milad Abolhasani

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  15. In-depth Integration of Control Systems and Automation Technologies in Digital Factories

    International Conference on Cyber Resilience (ICCR) · 2025-07-03

    Ning Zhang

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  16. Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective

    Computers & Chemical Engineering · 2025-07-26

    You-Hyun Kim, Hayoung Doo, Daeun Shin, Seo Yoon Lee, Seo Yoon Lee, Yugyeong Roh, Seong‐Eun Park, Heejin Song, Yujin Jung, Hyuk Jun Yoo, Sang Soo Han, Jong Woo Kim, Maximilian O. Besenhard, Ye Seol Lee, Jonggeol Na

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  17. Optimized Machine Learning for Autonomous Enzymatic Reaction Intensification in a Self‐Driving Lab

    Biotechnology and Bioengineering · 2025-08-04

    Sebastian Putz, Niklas Teetz, Michael Abt, Pascal Jerono, Thomas Meurer, Matthias Franzreb

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  18. Human-AI collaboration in chemical engineering

    Elsevier eBooks · 2025-10-17

    Junaid Hassan, Maryam Abdinejad, Juliana Heloisa Pinê Américo‐Pinheiro, Irfan Ul Hai, Alexander L. Chupin, Begüm Erten

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  19. Automated navigation of condensate phase behavior with active machine learning

    Nature Communications · 2025-10-30

    Yannick H. A. Leurs, Willem van den Hout, Andrea Gardin, Joost L. J. van Dongen, Andoni Rodriguez‐Abetxuko, Nadia A. Erkamp, Jan C. M. van Hest, Francesca Grisoni, Luc Brunsveld

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  20. Autonomous catalysis research with human–AI–robot collaboration

    Nature Catalysis · 2025-11-05

    Negin Orouji, Jeffrey A. Bennett, Richard B. Canty, Long Hao Qi, Shijing Sun, Paulami Majumdar, Chong Liu, Núria López, Neil M. Schweitzer, John R. Kitchin, Hongliang Xin, Milad Abolhasani

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  21. Artificial Intelligence-Guided Pulsed Synthesis of Zinc Oxide Nanostructures on Thin Metal Shells

    Processes · 2025-11-20

    Serguei P. Murzin

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  22. AI-Driven Prediction of Nanoproperties for Sustainable Oil and Gas Drilling

    Green energy and technology · 2026-01-01

    Alhaitham M. Alkalbani, Girma Tadesse Chala

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  23. Can we automate scientific reasoning in closed-loop experiments using large language models?

    Digital Discovery · 2026-01-01

    A. Cisse, Max Cooper, Mengjia Zhu, Xenophon Evangelopoulos, Andrew Ian Cooper

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  24. Combinatorial to autonomous experimentation

    Elsevier eBooks · 2026-01-01

    Krishna Rajan

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  25. Do Self-Driving Laboratories Accelerate Discovery or Automate Uncertainty, Bias, and Irreproducible Decisions?

    Pharmacophore · 2026-01-01

    Hao Chen, Fang Liu, Zhao Lin, Wei Zhang

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  26. Toward self-driving laboratory 2.0 for chemistry and materials discovery

    Materials Horizons · 2026-01-01

    Heeseung Lee, Hyuk Jun Yoo, Hye Su Jang, Byeongho Park, Yang Jeong Park, Sang Soo Han

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  27. Machine Learning and Autonomous Systems for Accelerated Synthesis

    Annual Review of Analytical Chemistry · 2026-02-10

    Matthew A. McDonald, Klavs F. Jensen

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  28. The ADePT framework for assessing autonomous laboratory robotics

    Communications Chemistry · 2026-02-20

    Pablo José Salazar Villacis, Brahim Benyahia

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  29. Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows

    Advanced Intelligent Systems · 2026-03-01

    Chuan He, Martin Singull, T. Jesper Jacobsson

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  30. Operating advanced scientific instruments with AI agents that learn on the job

    npj Computational Materials · 2026-03-06

    Aikaterini Vriza, Michael H. Prince, Tao Zhou, Henry Chan, Mathew J. Cherukara

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  31. Intelligent Clustering Algorithm Enables Accurate Construction of Datasets for Autonomous Driving Error Intervention Scenarios

    Unknown journal · 2026-04-24

    Tongwen Ye

    Read original paper ↗ ·

  32. Materials by machines: A review on intuition and knowledge-driven learning for rapid discovery and optimization

    Materials Research Bulletin · 2026-05-29

    Mohannad Zeyad Naser, Prasada Rao Rangaraju

    Read original paper ↗ ·
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