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RESEARCH PAPER · Digital Discovery · 2023

Orchestrating nimble experiments across interconnected labs

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Orchestrating nimble experiments across interconnected labsOriginalAccelerated Characterization of Electrode‐Electrolyte Equilibration9Event-driven data management with cloud computing for extensible materials acceleration platforms8Accelerated screening of carbon dioxide capture by liquid sorbents0Accelerated screening of gas diffusion electrodes for carbon dioxide reduction8Accelerating materials research with a comprehensive data management tool: a case study on an electrochemical laboratory13AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories33Automated monitoring of electrocatalyst corrosion as a function of electrochemical history and electrolyte formulation2Autonomous laboratories for accelerated materials discovery: a community survey and practical insights33Autonomous millimeter scale high throughput battery research system12The future of self-driving laboratories: from human in the loop interactive AI to gamification102Autonomous millimeter scale high throughput battery research system (Auto-MISCHBARES)0Autonomous millimeter scale high throughput battery research system (Auto-MISCHBARES)1Autonomous millimeter scale high throughput battery research system (Auto-MISCHBARES)0Designing workflows for materials characterization22A workflow management system for reproducible and interoperable high-throughput self-driving experiments9Self-Driving Laboratories for Chemistry and Materials Science674Bayesian Conavigation: Dynamic Designing of the Material Digital Twins via Active Learning17Management of experimental workflows in robotic cultivation platforms7OCTOPUS: operation control system for task optimization and job parallelization via a user-optimal scheduler12Active learning path-dependent properties using a cloud-based materials acceleration platform0A Helping Hand: A Survey About AI-Driven Experimental Design for Accelerating Scientific Research5The Experiment Orchestration System (EOS): Comprehensive Foundation for Laboratory Automation0PyOpticon: An Open-Source Python Package for Laboratory Control, Automation, and Visualization2Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective14Steering towards safe self-driving laboratories41Artificial Intelligence-Guided Pulsed Synthesis of Zinc Oxide Nanostructures on Thin Metal Shells4Operando ultraviolet–visible optical spectroelectrochemistry of surfaces3Combinatorial to autonomous experimentation0Toward self-driving laboratory 2.0 for chemistry and materials discovery15Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers2Bringing ML to the real world: Rewards are all we need1Machine Learning and Autonomous Systems for Accelerated Synthesis1Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows5Real-time Multi-instrument Autonomous Materials Screening for Discovery of Novel Phase-change Memory Materials0Managing autonomous materials labs with multi-agent AI and its implications for the science of science1The past, present and future of self-driving laboratories5

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  1. Accelerated Characterization of Electrode‐Electrolyte Equilibration

    ChemCatChem · 2023-11-23

    Kevin Kan, Dan Guevarra, Lan Zhou, Ryan J. R. Jones, Yungchieh Lai, Matthias Hermann Richter, John M. Gregoire

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  2. Event-driven data management with cloud computing for extensible materials acceleration platforms

    Digital Discovery · 2023-12-21

    Michael J. Statt, Brian A. Rohr, Dan Guevarra, Santosh K. Suram, John M. Gregoire

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  3. Accelerated screening of carbon dioxide capture by liquid sorbents

    Digital Discovery · 2024-01-01

    Ryan J. R. Jones, Yungchieh Lai, Kevin Kan, Dan Guevarra, Joel A. Haber, Natalia Ramírez, Alessandra Zito, Clarabella J. Li, Jenny Y. Yang, Aaron M. Appel, John M. Gregoire

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  4. Accelerated screening of gas diffusion electrodes for carbon dioxide reduction

    Digital Discovery · 2024-01-01

    Ryan J. R. Jones, Yungchieh Lai, Dan Guevarra, Kevin Kan, Joel A. Haber, John M. Gregoire

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  5. Accelerating materials research with a comprehensive data management tool: a case study on an electrochemical laboratory

    Journal of Materials Chemistry A · 2024-01-01

    Nico C. Röttcher, Gun Deniz Akkoc, S.M. Finger, Birk Fritsch, Jonas Möller, Karl J. J. Mayrhofer, Dominik Dworschak

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

    Digital Discovery · 2024-01-01

    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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  7. Automated monitoring of electrocatalyst corrosion as a function of electrochemical history and electrolyte formulation

    Chemical Communications · 2024-01-01

    Ken J. Jenewein, Kevin Kan, Dan Guevarra, Ryan J. R. Jones, Yungchieh Lai, Santosh K. Suram, Joel A. Haber, Serhiy Cherevko, John M. Gregoire

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  8. Autonomous laboratories for accelerated materials discovery: a community survey and practical insights

    Digital Discovery · 2024-01-01

    Linda Hung, Joyce A. Yager, Danielle R. Monteverde, Dave Baiocchi, Ha-Kyung Kwon, Shijing Sun, Santosh K. Suram

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  9. Autonomous millimeter scale high throughput battery research system

    Digital Discovery · 2024-01-01

    Fuzhan Rahmanian, Stefan Fuchs, Bojing Zhang, Maximilian Fichtner, Helge Sören Stein

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  10. The future of self-driving laboratories: from human in the loop interactive AI to gamification

    Digital Discovery · 2024-01-01

    Holland E. Hysmith, Elham Foadian, Shakti P. Padhy, Sergei V. Kalinin, R. G. Moore, Olga S. Ovchinnikova, Mahshid Ahmadi

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  11. Autonomous millimeter scale high throughput battery research system (Auto-MISCHBARES)

    ChemRxiv · 2024-01-02

    Fuzhan Rahmanian, Stefan Fuchs, Maximilian Fichtner, Helge Sören Stein

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  12. Autonomous millimeter scale high throughput battery research system (Auto-MISCHBARES)

    ChemRxiv · 2024-01-08

    Fuzhan Rahmanian, Stefan Fuchs, Maximilian Fichtner, Helge Sören Stein

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  13. Autonomous millimeter scale high throughput battery research system (Auto-MISCHBARES)

    ChemRxiv · 2024-01-10

    Fuzhan Rahmanian, Stefan Fuchs, Bojing Zhang, Maximilian Fichtner, Helge Sören Stein

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  14. Designing workflows for materials characterization

    Applied Physics Reviews · 2024-03-01

    Sergei V. Kalinin, Maxim A Ziatdinov, Mahshid Ahmadi, Ayana Ghosh, Kevin M. Roccapriore, Yongtao Liu, Rama Krishnan Vasudevan

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  15. A workflow management system for reproducible and interoperable high-throughput self-driving experiments

    Computers & Chemical Engineering · 2024-05-09

    Federico Martín Mione, Lucas Kaspersetz, Martin Francisco Luna, Judit Aizpuru, Randolf Scholz, M. Borisyak, Annina Kemmer, Marie‐Therese Schermeyer, Ernesto Carlos Martinez, Peter B. Neubauer, Mariano Nicolás Cruz Bournazou

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  16. 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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  17. 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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  18. Management of experimental workflows in robotic cultivation platforms

    SLAS TECHNOLOGY · 2024-10-31

    Lucas Kaspersetz, Britta Englert, Fabian Krah, Ernesto Carlos Martinez, Peter B. Neubauer, Mariano Nicolás Cruz Bournazou

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  19. OCTOPUS: operation control system for task optimization and job parallelization via a user-optimal scheduler

    Nature Communications · 2024-11-08

    Hyuk Jun Yoo, Kwan‐Young Lee, Dong-Hun Kim, Sang Soo Han

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  20. Active learning path-dependent properties using a cloud-based materials acceleration platform

    Digital Discovery · 2025-01-01

    Dan Guevarra, Michael J. Statt, Kostiantyn Popovich, Brian A. Rohr, John M. Gregoire, Kevin Tran, Santosh K. Suram, Joel A. Haber, Willie Neiswanger

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  21. 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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  22. The Experiment Orchestration System (EOS): Comprehensive Foundation for Laboratory Automation

    Proceedings - IEEE International Conference on Robotics and Automation/Proceedings · 2025-05-19

    Angelos Angelopoulos, Cem Baykal, Jade Kandel, Matthew Verber, James F. Cahoon, Ron Alterovitz

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  23. PyOpticon: An Open-Source Python Package for Laboratory Control, Automation, and Visualization

    Chemistry of Materials · 2025-06-20

    Richard Randall, Arun Majumdar

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  24. 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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  25. 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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  26. Artificial Intelligence-Guided Pulsed Synthesis of Zinc Oxide Nanostructures on Thin Metal Shells

    Processes · 2025-11-20

    Serguei P. Murzin

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  27. Operando ultraviolet–visible optical spectroelectrochemistry of surfaces

    Nature Reviews Methods Primers · 2025-11-20

    Benjamin Moss, Caiwu Liang, Andrew P. Carpenter, Lucas G. Verga, Søren Bertelsen Scott, Ryan J. R. Jones, Karthish Manthiram, Aron Walsh, Reshma R. Rao, Ifan E. L. Stephens, James Robert Durrant

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  28. Combinatorial to autonomous experimentation

    Elsevier eBooks · 2026-01-01

    Krishna Rajan

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  29. 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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  30. 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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  31. Bringing ML to the real world: Rewards are all we need

    APL Machine Learning · 2026-02-05

    Sergei V. Kalinin, Boris N. Slautin, Yu Liu, Mahshid Ahmadi, Kamyar Barakati, N. M. Anoop Krishnan, Heng Ji, Charles Qing Cao, Raymundo Arróyave

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  32. 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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  33. 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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  34. Real-time Multi-instrument Autonomous Materials Screening for Discovery of Novel Phase-change Memory Materials

    Research Square · 2026-06-24

    Ichiro Takeuchi, Chih‐Yu Lee, Haotong Liang, Ryan Kim, Carlos Rı́os, Austin McDannald, Aaron Gilad Kusne

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  35. Managing autonomous materials labs with multi-agent AI and its implications for the science of science

    Communications Materials · 2026-07-08

    Aaron Gilad Kusne, Austin McDannald

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  36. The past, present and future of self-driving laboratories

    Nature Reviews Chemistry · 2026-07-30

    Richard B. Canty, Milad Abolhasani

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