Active learning accelerates electrolyte solvent screening for anode-free lithium metal batteries
Nature Communications, 2025. [All Versions]. Anode-free or ‘zero-excess’ lithium metal batteries offer high energy density compared to current lithium-ion batteries but require electrolyte innovation to extend cycle life. Due to the lack of universal design principles…
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Nature Communications, 2023. [All Versions]. Closed-loop, autonomous experimentation enables accelerated and material-efficient exploration of large reaction spaces without the need for user intervention. However, autonomous exploration of advanced materials with complex…
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An autonomous laboratory for the accelerated synthesis of novel materials nature.com
Nature, 2023. [All Versions]. This paper introduces 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…
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Science Advances, 2019. [All Versions]. In the process of finding high-performance materials for organic photovoltaics (OPVs), it is meaningful if one can establish the relationship between chemical structures and photovoltaic properties even before synthesizing them. This work…
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Nature Communications, 2023. [All Versions]. [Project]. Advances in machine learning (ML) and automated experimentation are poised to vastly accelerate research in polymer science. Data representation is a critical aspect for enabling ML integration in research workflows, yet…
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A dynamic knowledge graph approach to distributed self-driving laboratories nature.com
Nature Communications, 2024. [All Versions]. This work employs ontologies to capture data and material flows in design-make-test-analyse cycles, utilising autonomous agents as executable knowledge components to carry out the experimentation workflow. Data provenance is recorded…
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Design of metalloproteins and novel protein folds using variational autoencoders nature.com
Scientific Reports, 2018. [All Versions]. The design of novel proteins has many applications but remains an attritional process with success in isolated cases. Meanwhile, deep learning technologies have exploded in popularity in recent years and are increasingly applicable to…
AGI & CoCoSci › Papers > Science Logology > AI Assisted Research: “Nature Communications, 2025. [All Versions]. Anode-free or ‘zero-excess’ lithium metal batteries offer high energy density compared to current lithium-ion batteries but require electrolyte innovation to extend cycle life. Due to the lack of universal design principles…”