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Autonomous Laboratories and Closed-Loop Materials Discovery: A Conceptual Framework for Self-Driving Experimentation
Materials discovery remains one of the central bottlenecks in the translation of scientific ideas into functional technologies. Conventional workflows often depend on slow cycles of hypothesis, synthesis, testing, interpretation, and redesign. These cycles are constrained by human time, manual dexterity, instrument availability, and the practical impossibility of exploring vast compositional and processing spaces exhaustively. Incremental improvements in automation have accelerated particular laboratory tasks, yet they have not fully transformed the logic of discovery. A robot that performs a predefined protocol faster than a human still operates within a human-directed trial-and-error paradigm. The deeper opportunity lies in laboratories that can decide what to do next, execute experiments, learn from outcomes, and adapt their strategy without waiting for complete human redesign. This article proposes a conceptual framework for autonomous, closed-loop laboratories in materials discovery. The framework treats discovery as an adaptive, self-improving process rather than a linear sequence of isolated experiments. It argues that autonomous laboratories are not merely high-throughput platforms but emerging scientific systems in which artificial intelligence, robotics, characterization, data infrastructure, and human judgement are integrated through a shared feedback logic. The framework defines the closed-loop discovery cycle, identifies six conceptual layers of an autonomous laboratory, and explains how experiment selection, robotic execution, real-time data capture, and human oversight interact. It also highlights why data quality, machine-readability, and error handling are foundational rather than peripheral concerns. The resulting vision is of materials discovery as a learning ecosystem in which each experimental outcome improves not only the model of a material system but also the strategy by which future knowledge is generated.
Journal of Computational and Data-Driven Materials Engineering
Original Research | Open access | 18 January 2025 | Article: 41
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