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Rapid Bayesian optimisation for synthesis of short polymer fiber materials

The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become impractical using traditional combinatorial approaches. We descr...

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Detalles Bibliográficos
Autores principales: Li, Cheng, Rubín de Celis Leal, David, Rana, Santu, Gupta, Sunil, Sutti, Alessandra, Greenhill, Stewart, Slezak, Teo, Height, Murray, Venkatesh, Svetha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5515927/
https://www.ncbi.nlm.nih.gov/pubmed/28720869
http://dx.doi.org/10.1038/s41598-017-05723-0
Descripción
Sumario:The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become impractical using traditional combinatorial approaches. We describe an iterative method which uses machine learning to optimise process development, incorporating multiple qualitative and quantitative objectives. We demonstrate the method with a novel fluid processing platform for synthesis of short polymer fibers, and show how the synthesis process can be efficiently directed to achieve material and process objectives.