材料科学研究数字化的可扩展开源解决方案

IF 9.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL
Victor Dudarev, Lars Banko, Alfred Ludwig
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引用次数: 0

摘要

信息技术和数据科学的发展促进了许多科学知识领域的变革。近年来,材料科学领域出现了大量专门用于信息和知识管理的系统。然而,基于不同类型信息的获取、存储和处理的材料科学研究支持的开放自适应系统的开发和部署仍然没有解决。我们提出matf -一个可扩展的、开源的解决方案,用于材料科学研究的数字化,基于异构数据源的自适应、灵活的信息管理系统。MatInf可以很容易地适应任何材料科学实验室,特别适用于几个实验室之间的协作项目。作为一个例子,我们演示了它在高通量实验中的应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

An extensible open-source solution for research digitalisation in materials science

An extensible open-source solution for research digitalisation in materials science

Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialised systems for information and knowledge management have been created in materials science. However, the development and deployment of open adaptive systems for research support in materials science based on the acquisition, storage, and processing of different types of information remains unsolved. We propose MatInf—an extensible, open-source solution for research digitalisation in materials science based on an adaptive, flexible information management system for heterogeneous data sources. MatInf can be easily adapted to any materials science laboratory and is especially useful for collaborative projects between several labs. As an example, we demonstrate its application in high-throughput experimentation.

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来源期刊
npj Computational Materials
npj Computational Materials Mathematics-Modeling and Simulation
CiteScore
15.30
自引率
5.20%
发文量
229
审稿时长
6 weeks
期刊介绍: npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings. Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.
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