Jiang, Y., Salley, D., Sharma, A. , Keenan, G., Mullen, M. and Cronin, L. (2022) An artificial intelligence enabled chemical synthesis robot for exploration and optimization of nanomaterials. Science Advances, 8(40), eabo2626. (doi: 10.1126/sciadv.abo2626) (PMID:36206340) (PMCID:PMC9544322)
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Abstract
We present an autonomous chemical synthesis robot for the exploration, discovery, and optimization of nanostructures driven by real-time spectroscopic feedback, theory, and machine learning algorithms that control the reaction conditions and allow the selective templating of reactions. This approach allows the transfer of materials as seeds between cycles of exploration, opening the search space like gene transfer in biology. The open-ended exploration of the seed-mediated multistep synthesis of gold nanoparticles (AuNPs) via in-line ultraviolet-visible characterization led to the discovery of five categories of nanoparticles by only performing ca. 1000 experiments in three hierarchically linked chemical spaces. The platform optimized nanostructures with desired optical properties by combining experiments and extinction spectrum simulations to achieve a yield of up to 95%. The synthetic procedure is outputted in a universal format using the chemical description language (χDL) with analytical data to produce a unique digital signature to enable the reproducibility of the synthesis.
Item Type: | Articles |
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Status: | Published |
Refereed: | Yes |
Glasgow Author(s) Enlighten ID: | Salley, Daniel and Jiang, Yibin and Sharma, Mr Abhishek and Cronin, Professor Lee and Keenan, Graham |
Creator Roles: | Jiang, Y.Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review and editing Salley, D.Conceptualization, Investigation, Methodology, Resources, Supervision, Visualization, Writing – original draft, Writing – review and editing Sharma, A.Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review and editing Keenan, G.Software Cronin, L.Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Software, Supervision, Validation, Visualization, Writing – original draft, Writing – review and editing |
Authors: | Jiang, Y., Salley, D., Sharma, A., Keenan, G., Mullen, M., and Cronin, L. |
College/School: | College of Science and Engineering > School of Chemistry |
Journal Name: | Science Advances |
Publisher: | American Association for the Advancement of Science |
ISSN: | 2375-2548 |
ISSN (Online): | 2375-2548 |
Published Online: | 07 October 2022 |
Copyright Holders: | Copyright © 2022 The Authors |
First Published: | First published in Science Advances 8(40):eabo2626 |
Publisher Policy: | Reproduced under a Creative Commons license |
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