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This research was focused on the efficient collection of experimental Metal-Organic Framework (MOF) data from scientific literature to address the challenges of accessing hard-to-find data and improving the quality of information available…

Materials Science · Physics 2024-04-23 Wonseok Lee , Yeonghun Kang , Taeun Bae , Jihan Kim

Domain-specific metadata schemas are essential to improve the findability and reusability of research software and to follow the FAIR4RS principles. However, many domains, including energy research, lack established metadata schemas. To…

Software Engineering · Computer Science 2026-01-15 Stephan Ferenz , Oliver Werth , Astrid Nieße

Identifying optimal synthesis conditions for metal-organic frameworks (MOFs) is a major challenge that can serve as a bottleneck for new materials discovery and development. Trial-and-error approach that relies on a chemist's intuition and…

Materials Science · Physics 2021-09-01 Hyunsoo Park , Yeonghun Kang , Wonyoung Choe , Jihan Kim

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

Reproducible computational research (RCR) is the keystone of the scientific method for in silico analyses, packaging the transformation of raw data to published results. In addition to its role in research integrity, RCR has the capacity to…

Digital Libraries · Computer Science 2021-04-20 Jeremy Leipzig , Daniel Nüst , Charles Tapley Hoyt , Stian Soiland-Reyes , Karthik Ram , Jane Greenberg

This paper reports on a scientometric analysis bolstered by human in the loop, domain experts, to examine the field of metal organic frameworks (MOFs) research. Scientometric analyses reveal the intellectual landscape of a field. The study…

Digital Libraries · Computer Science 2024-09-18 Xintong Zhao , Kyle Langlois , Jacob Furst , Yuan An , Xiaohua Hu , Diego Gomez Gualdron , Fernando Uribe-Romo , Jane Greenberg

The reuse of research software is central to research efficiency and academic exchange. The application of software enables researchers with varied backgrounds to reproduce, validate, and expand upon study findings. Furthermore, the…

From a data perspective, the materials mechanics field is characterized by sparsity of available data, mainly due to the strong microstructure-sensitivity of properties like strength, fracture toughness, and fatigue limit. This requires…

Computational Physics · Physics 2024-11-19 Ronak Shoghi , Alexander Hartmaier

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

Data-intensive science communities are progressively adopting FAIR practices that enhance the visibility of scientific breakthroughs and enable reuse. At the core of this movement, research objects contain and describe scientific…

Metal-organic frameworks (MOFs) have been widely investigated for challenging catalytic transformations due to their well-defined structures and high degree of synthetic tunability. These features, at least in principle, make MOFs ideally…

Materials Science · Physics 2021-10-19 Andrew S. Rosen , Justin M. Notestein , Randall Q. Snurr

The materials science community seeks to support the FAIR principles for computational simulation research. The MatCore Project was recently launched to address this need, with the goal of developing an overall metadata framework and…

The ability to find data is central to the FAIR principles underlying research data stewardship. As with the ability to reuse data, efforts to ensure and enhance findability have historically focused on discoverability of data by other…

Digital Libraries · Computer Science 2026-02-02 Bryan M. Gee

Reproducibility is a fundamental requirement of the scientific process since it enables outcomes to be replicated and verified. Computational scientific experiments can benefit from improved reproducibility for many reasons, including…

Databases · Computer Science 2019-09-04 Maria Luiza Mondelli , A. Townsend Peterson , Luiz M. R. Gadelha

Modern workflows run on increasingly heterogeneous computing architectures and with this heterogeneity comes additional complexity. We aim to apply the FAIR principles for research reproducibility by developing software to collect metadata…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Polina Shpilker , Line Pouchard

Robot behavior is often validated through simulation-based testing, yet the replicability of such campaigns depends critically on transparent documentation of how tests are configured, executed, and post-processed. We argue that data…

Robotics · Computer Science 2026-05-29 Argentina Ortega , Samuel Wiest , Frederik Pasch , Nico Hochgeschwender

Making data compliant with the FAIR Data principles (Findable, Accessible, Interoperable, Reusable) is still a challenge for many researchers, who are not sure which criteria should be met first and how. Illustrated from experimental data…

Other Quantitative Biology · Quantitative Biology 2020-12-18 Daniel Jacob , Romain David , Sophie Aubin , Yves Gibon

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
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