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Machine-learned and codified synthesis parameters of oxide materials

Predictive materials design has rapidly accelerated in recent years with the advent of large-scale resources, such as materials structure and property databases generated by ab initio computations. In the absence of analogous ab initio frameworks for materials synthesis, high-throughput and machine...

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Autores principales: Kim, Edward, Huang, Kevin, Tomala, Alex, Matthews, Sara, Strubell, Emma, Saunders, Adam, McCallum, Andrew, Olivetti, Elsa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5595045/
https://www.ncbi.nlm.nih.gov/pubmed/28895943
http://dx.doi.org/10.1038/sdata.2017.127
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author Kim, Edward
Huang, Kevin
Tomala, Alex
Matthews, Sara
Strubell, Emma
Saunders, Adam
McCallum, Andrew
Olivetti, Elsa
author_facet Kim, Edward
Huang, Kevin
Tomala, Alex
Matthews, Sara
Strubell, Emma
Saunders, Adam
McCallum, Andrew
Olivetti, Elsa
author_sort Kim, Edward
collection PubMed
description Predictive materials design has rapidly accelerated in recent years with the advent of large-scale resources, such as materials structure and property databases generated by ab initio computations. In the absence of analogous ab initio frameworks for materials synthesis, high-throughput and machine learning techniques have recently been harnessed to generate synthesis strategies for select materials of interest. Still, a community-accessible, autonomously-compiled synthesis planning resource which spans across materials systems has not yet been developed. In this work, we present a collection of aggregated synthesis parameters computed using the text contained within over 640,000 journal articles using state-of-the-art natural language processing and machine learning techniques. We provide a dataset of synthesis parameters, compiled autonomously across 30 different oxide systems, in a format optimized for planning novel syntheses of materials.
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spelling pubmed-55950452017-09-14 Machine-learned and codified synthesis parameters of oxide materials Kim, Edward Huang, Kevin Tomala, Alex Matthews, Sara Strubell, Emma Saunders, Adam McCallum, Andrew Olivetti, Elsa Sci Data Data Descriptor Predictive materials design has rapidly accelerated in recent years with the advent of large-scale resources, such as materials structure and property databases generated by ab initio computations. In the absence of analogous ab initio frameworks for materials synthesis, high-throughput and machine learning techniques have recently been harnessed to generate synthesis strategies for select materials of interest. Still, a community-accessible, autonomously-compiled synthesis planning resource which spans across materials systems has not yet been developed. In this work, we present a collection of aggregated synthesis parameters computed using the text contained within over 640,000 journal articles using state-of-the-art natural language processing and machine learning techniques. We provide a dataset of synthesis parameters, compiled autonomously across 30 different oxide systems, in a format optimized for planning novel syntheses of materials. Nature Publishing Group 2017-09-12 /pmc/articles/PMC5595045/ /pubmed/28895943 http://dx.doi.org/10.1038/sdata.2017.127 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ The Creative Commons Public Domain Dedication waiver http://creativecommons.org/publicdomain/zero/1.0/ applies to the metadata files made available in this article.
spellingShingle Data Descriptor
Kim, Edward
Huang, Kevin
Tomala, Alex
Matthews, Sara
Strubell, Emma
Saunders, Adam
McCallum, Andrew
Olivetti, Elsa
Machine-learned and codified synthesis parameters of oxide materials
title Machine-learned and codified synthesis parameters of oxide materials
title_full Machine-learned and codified synthesis parameters of oxide materials
title_fullStr Machine-learned and codified synthesis parameters of oxide materials
title_full_unstemmed Machine-learned and codified synthesis parameters of oxide materials
title_short Machine-learned and codified synthesis parameters of oxide materials
title_sort machine-learned and codified synthesis parameters of oxide materials
topic Data Descriptor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5595045/
https://www.ncbi.nlm.nih.gov/pubmed/28895943
http://dx.doi.org/10.1038/sdata.2017.127
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