{"title":"材料科学研究数字化的可扩展开源解决方案","authors":"Victor Dudarev, Lars Banko, Alfred Ludwig","doi":"10.1038/s41524-025-01618-1","DOIUrl":null,"url":null,"abstract":"<p>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 <i>MatInf</i>—an extensible, open-source solution for research digitalisation in materials science based on an adaptive, flexible information management system for heterogeneous data sources. <i>MatInf</i> 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.</p>","PeriodicalId":19342,"journal":{"name":"npj Computational Materials","volume":"97 1","pages":""},"PeriodicalIF":9.4000,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"An extensible open-source solution for research digitalisation in materials science\",\"authors\":\"Victor Dudarev, Lars Banko, Alfred Ludwig\",\"doi\":\"10.1038/s41524-025-01618-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>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 <i>MatInf</i>—an extensible, open-source solution for research digitalisation in materials science based on an adaptive, flexible information management system for heterogeneous data sources. <i>MatInf</i> 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.</p>\",\"PeriodicalId\":19342,\"journal\":{\"name\":\"npj Computational Materials\",\"volume\":\"97 1\",\"pages\":\"\"},\"PeriodicalIF\":9.4000,\"publicationDate\":\"2025-05-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"npj Computational Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1038/s41524-025-01618-1\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"npj Computational Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1038/s41524-025-01618-1","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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.
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.