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Utilization of machine learning to accelerate colloidal synthesis and discovery

Anthony Y. Fong, Lenson A. Pellouchoud, Malcolm Davidson, Richard C. Walroth, Carena Church, Ekaterina Tcareva, Liheng Wu, Kyle Peterson, Bryce Meredig, Christopher J. Tassone

2021The Journal of Chemical Physics30 citationsDOIOpen Access PDF

Abstract

Machine learning techniques are seeing increased usage for predicting new materials with targeted properties. However, widespread adoption of these techniques is hindered by the relatively greater experimental efforts required to test the predictions. Furthermore, because failed synthesis pathways are rarely communicated, it is difficult to find prior datasets that are sufficient for modeling. This work presents a closed-loop machine learning-based strategy for colloidal synthesis of nanoparticles, assuming no prior knowledge of the synthetic process, in order to show that synthetic discovery can be accelerated despite limited data availability.

Topics & Concepts

Computer scienceMachine learningProcess (computing)Artificial intelligenceOperating systemMachine Learning in Materials ScienceComputational Drug Discovery MethodsCatalysis and Oxidation Reactions
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