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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2017
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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. |
format | Online Article Text |
id | pubmed-5595045 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
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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