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High throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to advance many materials-based technologies, from batteries to…

Materials Science · Physics 2023-04-28 Gabriele Losi , Omar Chehaimi , M. Clelia Righi

Just like the scientific data they generate, simulation workflows for research should be findable, accessible, interoperable, and reusable (FAIR). However, while significant progress has been made towards FAIR data, the majority of science…

Digital Libraries · Computer Science 2022-05-04 Martin Hunt , Steven Clark , Daniel Mejia , Saaketh Desai , Alejandro Strachan

There has been a large focus in recent years on making assets in scientific research findable, accessible, interoperable and reusable, collectively known as the FAIR principles. A particular area of focus lies in applying these principles…

Human-Computer Interaction · Computer Science 2021-11-02 Robin A Richardson , Remzi Celebi , Sven van der Burg , Djura Smits , Lars Ridder , Michel Dumontier , Tobias Kuhn

The FAIR principles for scientific data (Findable, Accessible, Interoperable, Reusable) are also relevant to other digital objects such as research software and scientific workflows that operate on scientific data. The FAIR principles can…

Digital Libraries · Computer Science 2022-12-16 Sean R. Wilkinson , Greg Eisenhauer , Anuj J. Kapadia , Kathryn Knight , Jeremy Logan , Patrick Widener , Matthew Wolf

Recent trends within computational and data sciences show an increasing recognition and adoption of computational workflows as tools for productivity and reproducibility that also democratize access to platforms and processing know-how. As…

Computational workflows represent major investments of effort and expertise. As first-class, publishable research objects of their own, they are key to sharing methodological know-how for reuse, reproducibility, and transparency. Thus, the…

To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it - all while considering the…

It is essential for the advancement of science that scientists and researchers share, reuse and reproduce workflows and protocols used by others. The FAIR principles are a set of guidelines that aim to maximize the value and usefulness of…

Machine Learning · Computer Science 2019-11-22 Remzi Celebi , Joao Rebelo Moreira , Ahmed A. Hassan , Sandeep Ayyar , Lars Ridder , Tobias Kuhn , Michel Dumontier

It is challenging to determine whether datasets are findable, accessible, interoperable, and reusable (FAIR) because the FAIR Guiding Principles refer to highly idiosyncratic criteria regarding the metadata used to annotate datasets.…

Digital Libraries · Computer Science 2022-10-17 Mark A. Musen , Martin J. O'Connor , Erik Schultes , Marcos Martinez-Romero , Josef Hardi , John Graybeal

According to the FAIR (findability, accessibility, interoperability, and reusability) principles, scientific data should always be stored with machine-readable descriptive metadata. Existing solutions to store data with metadata, such as…

Databases · Computer Science 2024-09-12 Albert K. Engstfeld , Johannes M. Hermann , Nicolas G. Hörmann , Julian Rüth

A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles were proposed in 2016 as prerequisites for proper data management and stewardship, with the goal of enabling the reusability of scholarly data. The…

This chapter addresses the forth paradigm of materials research -- big-data driven materials science. Its concepts and state-of-the-art are described, and its challenges and chances are discussed. For furthering the field, Open Data and an…

Materials Science · Physics 2019-04-12 Claudia Draxl , Matthias Scheffler

The FAIR (Findable, Accessible, Interoperable, and Reusable) data principles have gained significant attention as a means to enhance data sharing, collaboration, and reuse across various domains. Here, we explore the potential benefits of…

Physics and Society · Physics 2025-06-17 Michael Seitz , Nick Garabedian , Ilia Bagov , Christian Greiner

Open science movement has established reproducibility, transparency, and validation of research outputs as essential norms for conducting scientific research. It advocates for open access to research outputs, especially research data, to…

Digital Libraries · Computer Science 2025-04-10 Ranjeet Kumar Singh , Akanksha Nagpal , Arun Jadhav , Devika P. Madalli

The FAIR Principles are a set of good practices to improve the reproducibility and quality of data in an Open Science context. Different sets of indicators have been proposed to evaluate the FAIRness of digital objects, including datasets…

Digital Libraries · Computer Science 2023-06-28 Fernando Aguilar Gómez , Isabel Bernal

A concise and measurable set of FAIR (Findable, Accessible, Interoperable and Reusable) principles for scientific data is transforming the state-of-practice for data management and stewardship, supporting and enabling discovery and…

Artificial Intelligence · Computer Science 2023-08-21 Nikil Ravi , Pranshu Chaturvedi , E. A. Huerta , Zhengchun Liu , Ryan Chard , Aristana Scourtas , K. J. Schmidt , Kyle Chard , Ben Blaiszik , Ian Foster

Despite much creative work on methods and tools, reproducibility -- the ability to repeat the computational steps used to obtain a research result -- remains elusive. One reason for these difficulties is that extant tools for capturing…

Software Engineering · Computer Science 2022-08-30 Ian Foster , Carl Kesselman

Reproducibility and replicability of research findings are central to the scientific integrity of epidemiology. In addition, many research questions require combiningdata from multiple sources to achieve adequate statistical power. However,…

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