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RESEARCH PAPER · Digital Discovery · 2024

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

Yuxing Fei, Bernardus Rendy, Rishi E. Kumar, Olympia 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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33 direct citing papers in this saved network. Explore the next layer with second-order citations.

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42 direct citing works

AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratoriesOriginalSelf-Driving Laboratories for Chemistry and Materials Science674A multi-robot–multi-task scheduling system for autonomous chemistry laboratories32Automated electron microscopy sample preparation system2Balancing autonomy and expertise in autonomous synthesis laboratories5The evolving role of programming and LLMs in the development of self-driving laboratories4A Helping Hand: A Survey About AI-Driven Experimental Design for Accelerating Scientific Research5IvoryOS: an interoperable web interface for orchestrating Python-based self-driving laboratories16Artificial intelligence-driven catalyst design for electrocatalytic hydrogen production: Paradigm innovation and challenges in material discovery14AI-driven new materials development and data standardization4El Agente: An autonomous agent for quantum chemistry54Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective14Steering towards safe self-driving laboratories41Synthetic Accessibility and Sodium Ion Conductivity of the Na8–xAxP2O9 (NAP) High-Temperature Sodium Superionic Conductor Framework2Seamless integration of legacy robotic systems into a self-driving laboratory via NIMO: a case study on liquid handler automation1Accelerating multimetallic catalyst discovery with robotics and agentic AI8Anomaly Management in Multi-Robot Coordination: Detection and Handling Framework for Self-Driving Laboratories0Digital infrastructure to support and share daily high-throughput experimental materials research0GEMS: a deterministic finite automaton framework for adaptive laboratory automation0Multi-task scheduling of self-driving laboratories under scientific constraints1Toward self-driving laboratory 2.0 for chemistry and materials discovery15Challenges and Opportunities in Machine Learning for Light‐Emitting Polymers1Orchestration of heterogeneous experimental machines via ROS2 for automated bulk intermetallic synthesis2Large Language Models for High-Entropy Alloys: Literature Mining, Design Orchestration, and Evaluation Standards2Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers2Accelerated Emergence of Self-Driving Laboratories for Accelerating Materials Discovery1MADSci: A modular Python-based framework to enable autonomous science2A foundational representation for an orchestrated lab0Automation in Pharmaceutical Crystallization0From Chatbots to Chemists: Autonomous Agents for Heterogeneous Catalysis0A Large Scale Multi‐Modal Workflow for Battery Characterization: From Concept to Implementation0ALF: Open-Source Active Learning Framework for Atomistic Modeling0Co‐Evolution of Humans, AI, and Robotics in Autonomous Materials Manufacturing0Mapping the Molecular Universe0

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  1. Self-Driving Laboratories for Chemistry and Materials Science

    Chemical Reviews · 2024-08-13

    Gary Tom, Stefan P. Schmid, Sterling G. Baird, Yang Cao, Kourosh Darvish, Han Hao, Stanley Lo, Sergio Pablo‐García, Ella Miray Rajaonson, Marta Skreta, Naruki Yoshikawa, Samantha Corapi, Gun Deniz Akkoc, Felix Strieth‐Kalthoff, Martin T. Seifrid, Alán Aspuru‐Guzik

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  2. A multi-robot–multi-task scheduling system for autonomous chemistry laboratories

    Digital Discovery · 2025-01-01

    Junyi Zhou, Man Luo, Linjiang Chen, Qing Zhu, Shan Jiang, Fei Zhang, Weiwei Shang, Jun Jiang

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  3. Automated electron microscopy sample preparation system

    Digital Discovery · 2025-01-01

    David Milsted, Tara Prasad Mishra, Lauren N. Walters, Yuxing Fei, Bernardus Rendy, Pragnay Nevatia, Haegyeom Kim, Gerbrand Ceder

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  4. Balancing autonomy and expertise in autonomous synthesis laboratories

    Nature Computational Science · 2025-02-05

    Xiaozhao Liu, Bin Ouyang, Yan Zeng

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  5. The evolving role of programming and LLMs in the development of self-driving laboratories

    APL Machine Learning · 2025-04-30

    John R. Kitchin

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  6. A Helping Hand: A Survey About AI-Driven Experimental Design for Accelerating Scientific Research

    Applied Sciences · 2025-05-07

    Lukas Nolte, Sven Tomforde

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  7. IvoryOS: an interoperable web interface for orchestrating Python-based self-driving laboratories

    Nature Communications · 2025-06-04

    Wenyu Zhang, Lucy Hao, Veronica Lai, Ryan Corkery, Jacob Jessiman, Jiayu Zhang, Junliang Liu, Yusuke Sato, Maria Politi, Matthew E. Reish, Rebekah Greenwood, Noah Depner, Jiyoon Min, Rama El-khawaldeh, Paloma L. Prieto, Ekaterina Trushina, Jason E. Hein

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  8. Artificial intelligence-driven catalyst design for electrocatalytic hydrogen production: Paradigm innovation and challenges in material discovery

    Sustainable Chemistry for Energy Materials · 2025-06-21

    Zhaoyong Jin, Dongxu Gu, Panpan Li, Guilin Ye, Heru Zhu, Kailun Wei, Chunxiang Li, Wenhui Zhong, Wenjie Du, Qing Jun Zhu

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  9. AI-driven new materials development and data standardization

    Chinese Science Bulletin (Chinese Version) · 2025-07-01

    Lanting Zhang, Mingyang Liu, Hongjian Yuan, Hong Wang

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  10. El Agente: An autonomous agent for quantum chemistry

    Matter · 2025-07-01

    Yushi Zou, Austin Cheng, Abdulrahman Aldossary, Jiaru Bai, Shi Xuan Leong, Jorge A. Campos-Gonzalez-Angulo, Changhyeok Choi, Cher Tian Ser, Gary Tom, Andrew Wang, Zijian Zhang, Ilya Yakavets, Hao Han, Chris Crebolder, Varinia Bernales, Alán Aspuru‐Guzik

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  11. 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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  12. Steering towards safe self-driving laboratories

    Nature Reviews Chemistry · 2025-08-18

    Shi Xuan Leong, Caleb E. Griesbach, Rui Zhang, Kourosh Darvish, Yuchi Zhao, Abhijoy Mandal, Yushi Zou, Han Hao, Varinia Bernales, Alán Aspuru‐Guzik

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  13. Synthetic Accessibility and Sodium Ion Conductivity of the Na8–xAxP2O9 (NAP) High-Temperature Sodium Superionic Conductor Framework

    Chemistry of Materials · 2025-08-22

    Lauren N. Walters, Yuxing Fei, Bernardus Rendy, Xiaochen Yang, Mouhamad Said Diallo, KyuJung Jun, Grace Wei, Matthew J. McDermott, Andrea Giunto, Tara Prasad Mishra, Fengyu Shen, David Milsted, May Sabai Oo, Haegyeom Kim, Michael C. Tucker, Gerbrand Ceder

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  14. Seamless integration of legacy robotic systems into a self-driving laboratory via NIMO: a case study on liquid handler automation

    Science and Technology of Advanced Materials Methods · 2025-09-24

    Ryo Tamura, Hiromichi Taketa, Satoshi Murata, Daisuke Ryuno, Tomotaka Yokota, Koji Tsuda, Shôichi Matsuda

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  15. Accelerating multimetallic catalyst discovery with robotics and agentic AI

    AI Agent · 2025-11-24

    Jiayu Peng, Chuanyu Liu, Yiwen Luo, Kritarth Dandapat

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  16. Anomaly Management in Multi-Robot Coordination: Detection and Handling Framework for Self-Driving Laboratories

    IEEE Transactions on Automation Science and Engineering · 2026-01-01

    Yang Yang, Jiankun Yang, Haibo Lu, Huaping Liu, Wen Gao

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  17. Digital infrastructure to support and share daily high-throughput experimental materials research

    Faraday Discussions · 2026-01-01

    Lena Angelika Mittmann, Hampus Näsström, Eugene P. Bertin, Sarthak Kapoor, Inês Diogo, Anat Itzhak, Giulia Dalmonte, Rasmus Thorup Danielsen, Malthe Emil Skytte, Holger von Wenckstern, Andrea Crovetto, José A Márquez

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  18. GEMS: a deterministic finite automaton framework for adaptive laboratory automation

    Digital Discovery · 2026-01-01

    Yuya Tahara-Arai, Akari Kato, Koji Ochiai, Kazuya Azumi, Koichi Takahashi, Genki N. Kanda, Haruka Ozaki

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  19. Multi-task scheduling of self-driving laboratories under scientific constraints

    Chemical Science · 2026-01-01

    Junyi Zhou, Luyao Ge, Xiaobo Li, Lulu Guo, Linjiang Chen, Jun Jiang, Weiwei Shang

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  20. 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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  21. Challenges and Opportunities in Machine Learning for Light‐Emitting Polymers

    Macromolecular Rapid Communications · 2026-01-06

    Tian Tian, Yinyin Bao

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  22. Orchestration of heterogeneous experimental machines via ROS2 for automated bulk intermetallic synthesis

    Science and Technology of Advanced Materials Methods · 2026-01-23

    Wei-Sheng Wang, Kensei Terashima, Yoshihiko Takano

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  23. Large Language Models for High-Entropy Alloys: Literature Mining, Design Orchestration, and Evaluation Standards

    Metals · 2026-01-29

    Yutong GUO, Chao Yang

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  24. Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

    Advanced Intelligent Discovery · 2026-01-29

    Guoyue Xu, Renzheng Zhang, Tengfei Luo

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  25. Accelerated Emergence of Self-Driving Laboratories for Accelerating Materials Discovery

    ACS Central Science · 2026-02-18

    Amanda K. Brown, Abhishek Soni, Daniel Lin, Curtis P. Berlinguette

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  26. MADSci: A modular Python-based framework to enable autonomous science

    The Journal of Open Source Software · 2026-03-06

    Ryan Lewis, Tobias S. Ginsburg, Doga Ozgulbas, Casey Stone, Abraham Stroka, Aileen Cleary, Ian T. Foster, Noah H. Paulson

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  27. A foundational representation for an orchestrated lab

    Device · 2026-06-01

    Willi Gottstein, Aurélien Blanc, Sissi Feng, Brandon R. Sutherland, Sergio Pablo‐García

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  28. Automation in Pharmaceutical Crystallization

    Organic Process Research & Development · 2026-06-25

    Giovanni Aprile, Peter Sagmeister, Cedric Devos, Aniket Pradip Udepurkar, Francesco Destro, Fateme Molajafari, Torsten Stelzer, Hamza Youssef Ismail, Daniel J. Griffin, Richard D. Braatz, Allan S. Myerson

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  29. From Chatbots to Chemists: Autonomous Agents for Heterogeneous Catalysis

    ACS Catalysis · 2026-07-09

    Mengyu Jin, Chenfei Liao, Zheng Xu, You Song, Ruifan He, Yalei Zhang, Xuming Hu, Zheng Shen

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  30. A Large Scale Multi‐Modal Workflow for Battery Characterization: From Concept to Implementation

    Advanced Energy Materials · 2026-07-17

    François Cadiou, Cinthya Herrera, Duncan Atkins, Elixabete Ayerbe, Giorgio Baraldi, Stéphanie Belin, Anass Benayad, Didier Blanchard, F. G. Capone, E. Capria, Isidora Cekić-Lasković, Robert Dominko, Kristina Edström, Ajay Gautam, Lukas Helfen, Antonella Iadecola, Quentin Jacquet, Gregor Kapun, Xinyu Li, Aleksandar Matic, Nataliia Mozhzhukhina, Andrew J. Naylor, Poul Norby, Christopher A. O’Keefe, Alexandre Ponrouch, Jean‐Pascal Rueff, Elena Tchernykova, Deyana S. Tchitchekova, Israel Temprano, Nikita Vostrov, Marnix Wagemaker, Martin Winter, Christian Wölke, Tejs Vegge, Sandrine Lyonnard

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  31. ALF: Open-Source Active Learning Framework for Atomistic Modeling

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

    Vitor Ferreira Grizzi, Patrick J. Lohr, Nikita S. Fedik, Steven Anaya, Jared Averitt, Joseph S. Gomes, Ying Wai Li, Kipton M. Barros, Nicholas Lubbers, Richard A. Messerly, Jan Janßen, Maksim Kulichenko, Justin Smith, Sergei Tretiak, Benjamin T. Nebgen

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  32. Co‐Evolution of Humans, AI, and Robotics in Autonomous Materials Manufacturing

    National Materials · 2026-09-26

    Yixuan Zhao, Wenlong Li, Xiaodong Chen

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  33. Mapping the Molecular Universe

    JACS Au · 2026-10-12

    Dan Hannah, Yumin Zhang, Stanley Whittingham, Martin Winter, Ying Shirley Meng, Qichao Hu, Kang Xu

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