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Related papers: A Workflow-Centric Approach to Generating FAIR Dat…

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It is important to accurately model materials' properties at lower length scales (micro-level) while translating the effects to the components and/or system level (macro-level) can significantly reduce the amount of experimentation required…

Computers and Society · Computer Science 2022-11-08 Kazuma Kobayashi , Shoaib Usman , Carlos Castano , Dinesh Kumar , Syed Alam

The concept of FAIR Digital Objects represents a foundational step towards realizing machine-actionable, interoperable data infrastructures across scientific and industrial domains. As digital spaces become increasingly heterogeneous,…

Modern large-scale scientific discovery requires multidisciplinary collaboration across diverse computing facilities, including High Performance Computing (HPC) machines and the Edge-to-Cloud continuum. Integrated data analysis plays a…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-08-21 Renan Souza , Tyler J. Skluzacek , Sean R. Wilkinson , Maxim Ziatdinov , Rafael Ferreira da Silva

The increasing complexity and volume of data generated by high-throughput computational materials science require robust tools to ensure their accessibility, reproducibility, and reuse. In particular, integrating the FAIR Guiding Principles…

Materials Science · Physics 2025-10-28 Lucrezia Berghenti , Elisa Damiani , Margherita Marsili , Maria Clelia Righi

Workflow support typically focuses on single simulation experiments. This is also the case for simulation based on finite element methods. If entire simulation studies shall be supported, flexible means for intertwining revising the model,…

Computational Engineering, Finance, and Science · Computer Science 2020-10-16 Andreas Ruscheinski , Pia Wilsdorf , Julius Zimmermann , Ursula van Rienen , Adelinde M. Uhrmacher

Scientific data management is at a critical juncture, driven by exponential data growth, increasing cross-domain dependencies, and a severe reproducibility crisis in modern research. Traditional centralized data management approaches are…

Databases · Computer Science 2025-04-30 Sebastian Beyvers , Jannis Hochmuth , Lukas Brehm , Maria Hansen , Alexander Goesmann , Frank Förster

In recent years, digital object management practices to support findability, accessibility, interoperability, and reusability (FAIR) have begun to be adopted across a number of data-intensive scientific disciplines. These digital objects…

High Energy Physics - Experiment · Physics 2022-11-29 Avik Roy

Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, computational modeling, and optimization. Central to this…

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

The prosperity and lifestyle of our society are very much governed by achievements in condensed matter physics, chemistry and materials science, because new products for sectors such as energy, the environment, health, mobility and…

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

Two key issues hindering the transition towards FAIR data science are the poor discoverability and inconsistent instructions for the use of data extractor tools, i.e., how we go from raw data files created by instruments, to accessible…

Data Analysis, Statistics and Probability · Physics 2025-06-24 Matthew L. Evans , Gian-Marco Rignanese , David Elbert , Peter Kraus

Industrial cyber physical systems operate under heterogeneous sensing, stochastic dynamics, and shifting process conditions, producing data that are often incomplete, unlabeled, imbalanced, and domain shifted. High-fidelity datasets remain…

Computational Engineering, Finance, and Science · Computer Science 2025-12-11 Qianyu Zhou

FAIR Digital Objects support research data management aligned with the FAIR principles. To be machine-actionable, they must support operations that interact with their contents. This can be achieved by associating operations with FAIR-DO…

Digital Libraries · Computer Science 2025-10-14 Maximilian Inckmann , Nicolas Blumenröhr , Rossella Aversa

Data - arguably the most important product of worldwide materials research investment - are rarely shared. The small and biased proportion of results published are buried in plots and text licensed by journals. This situation wastes…

Materials Science · Physics 2023-02-27 LC Brinson , LM Bartolo , B Blaiszik , D Elbert , I Foster , A Strachan , PW Voorhees

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

This paper presents an integrated model-free data-driven approach to solid mechanics, allowing to perform numerical simulations on structures on the basis of measures of displacement fields on representative samples, without postulating a…

Computational Engineering, Finance, and Science · Computer Science 2019-06-20 Laurent Stainier , Adrien Leygue , Michael Ortiz

Recent advances in (scanning) transmission electron microscopy have enabled routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for…

Data Analysis, Statistics and Probability · Physics 2022-11-08 Ayana Ghosh , Maxim Ziatdinov , Ondrej Dyck , Bobby Sumpter , Sergei V. Kalinin

The development of a knowledge repository for climate science data is a multidisciplinary effort between the domain experts (climate scientists), data engineers whos skills include design and building a knowledge repository, and machine…

Digital Libraries · Computer Science 2023-04-13 Mark Roantree , Branislava Lalic , Stevan Savic , Dragan Milosevic , Michael Scriney