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Nathan J. Szymanski, Bernardus Rendy, Yuxing Fei, Rishi E. Kumar, Tanjin He, David Milsted, Matthew J. McDermott, Max C. Gallant, Ekin D. Cubuk, Amil Merchant and 6 more
, we introduce the A-Lab, an autonomous laboratory for the solid-state synthesis of inorganic powders. This platform uses computations, historical data from the literature, machine learning (ML) and active learning to plan and interpret the outcomes of experiments performed using robotics. Over 17 days of continuous operation, the A-Lab realized 41 novel compounds from a set of 58 targets including a variety of oxides and phosphates that were identified using large-scale ab initio phase-stability data from the Materials Project and Google DeepMind. Synthesis recipes were proposed by natural-language models trained on the literature and optimized using an active-learning approach grounded in thermodynamics. Analysis of the failed syntheses provides direct and actionable suggestions to improve current techniques for materials screening and synthesis design. The high success rate demonstrates the effectiveness of artificial-intelligence-driven platforms for autonomous materials discovery and motivates further integration of computations, historical knowledge and robotics.
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Szymanski, N. J., Rendy, B., Fei, Y., Kumar, R. E., He, T., Milsted, D., McDermott, M. J., Gallant, M. C., Cubuk, E. D., Merchant, A., Kim, H., Jain, A., Bartel, C. J., Persson, K. A., Zeng, Y., & Ceder, G. (2023). An autonomous laboratory for the accelerated synthesis of inorganic materials. Nature, 624(7990), 86–91. https://doi.org/10.1038/s41586-023-06734-w
Szymanski, Nathan J., et al. "An autonomous laboratory for the accelerated synthesis of inorganic materials." Nature, vol. 624, no. 7990, 2023, pp. 86–91, https://doi.org/10.1038/s41586-023-06734-w.
Szymanski, Nathan J., Bernardus Rendy, Yuxing Fei, Rishi E. Kumar, Tanjin He, David Milsted, Matthew J. McDermott, et al. "An autonomous laboratory for the accelerated synthesis of inorganic materials." Nature 624, no. 7990 (2023): 86–91. https://doi.org/10.1038/s41586-023-06734-w.
Szymanski N. J., Rendy B., Fei Y. [и др.] An autonomous laboratory for the accelerated synthesis of inorganic materials // Nature. — 2023. — Vol. 624, № 7990. — P. 86–91. — URL: https://doi.org/10.1038/s41586-023-06734-w
@article{szymanski2023autonomous,
title = {{An autonomous laboratory for the accelerated synthesis of inorganic materials}},
author = {Nathan J. Szymanski and Bernardus Rendy and Yuxing Fei and Rishi E. Kumar and Tanjin He and David Milsted and Matthew J. McDermott and Max C. Gallant and Ekin D. Cubuk and Amil Merchant and Haegyeom Kim and Anubhav Jain and Christopher J. Bartel and Kristin Aslaug Persson and Yan Zeng and Gerbrand Ceder},
journal = {Nature},
year = {2023},
volume = {624},
number = {7990},
pages = {86--91},
doi = {10.1038/s41586-023-06734-w},
url = {https://doi.org/10.1038/s41586-023-06734-w}
}TY - JOUR AU - Szymanski, Nathan J. AU - Rendy, Bernardus AU - Fei, Yuxing AU - Kumar, Rishi E. AU - He, Tanjin AU - Milsted, David AU - McDermott, Matthew J. AU - Gallant, Max C. AU - Cubuk, Ekin D. AU - Merchant, Amil AU - Kim, Haegyeom AU - Jain, Anubhav AU - Bartel, Christopher J. AU - Persson, Kristin Aslaug AU - Zeng, Yan AU - Ceder, Gerbrand TI - An autonomous laboratory for the accelerated synthesis of inorganic materials JO - Nature VL - 624 IS - 7990 SP - 86 EP - 91 PY - 2023 DA - 2023/11/29 DO - 10.1038/s41586-023-06734-w UR - https://doi.org/10.1038/s41586-023-06734-w ER -
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