An autonomous laboratory for the accelerated synthesis of inorganic materials

Автономная лаборатория для ускоренного синтеза неорганических материалов
Kristin A. Persson, Gerbrand Ceder, Christopher J. Bartel, Ekin D. Cubuk, Anubhav Jain, Rishi E. Kumar, Amil Merchant, Tanjin He, Yuxing Fei, Yan Zeng, Nathan J. Szymanski, Haegyeom Kim, Bernardus Rendy, David Milsted, Matthew J. McDermott, Max C. Gallant
2023-11-29

Materials Projectactive learningautonomous laboratoryinorganic materialssolid-state synthesis
, 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.
1
Analysis of failed syntheses produced actionable recommendations for improving materials screening and synthesis design.
2
During 17 days of continuous operation, the platform synthesized 41 novel compounds from 58 targeted oxides and phosphates.
3
Synthesis recipes were generated by literature-trained natural-language models and optimized through thermodynamics-informed active learning.
4
The A-Lab integrates ab initio computations, literature data, machine learning, active learning, and robotics for autonomous inorganic solid-state synthesis.
5
The reported success rate supports AI-driven autonomous platforms for accelerated materials discovery and encourages tighter integration of computation, historical knowledge, and robotics.

A-Lab autonomous platform for the solid-state synthesis of inorganic powders, including oxides and phosphates

Accelerated autonomous discovery and synthesis performance, including target realization, synthesis success and failure mechanisms, through the integration of computation, literature knowledge, machine learning and robotics

Publication Details
Publication Date
2023-11-29
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Authors
Kristin A. Persson
Gerbrand Ceder
Christopher J. Bartel
Ekin D. Cubuk
Anubhav Jain
Rishi E. Kumar
Amil Merchant
Tanjin He
Yuxing Fei
Yan Zeng
Nathan J. Szymanski
Haegyeom Kim
Bernardus Rendy
David Milsted
Matthew J. McDermott
Max C. Gallant
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