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The trend toward open science increases the pressure on authors to provide access to the source code and data they used to compute the results reported in their scientific papers. Since sharing materials reproducibly is challenging, several…

Digital Libraries · Computer Science 2020-07-15 Markus Konkol , Daniel Nüst , Laura Goulier

We present the Novel-Materials-Discovery (NOMAD) Artificial-Intelligence (AI) Toolkit, a web-browser-based infrastructure for the interactive AI-based analysis of materials-science findable, accessible, interoperable, and reusable (FAIR)…

Materials Science · Physics 2022-11-10 Luigi Sbailò , Ádám Fekete , Luca M. Ghiringhelli , Matthias Scheffler

Ecological research increasingly relies on integrating heterogeneous datasets and knowledge to explain and predict complex phenomena. Yet, differences in data types, terminology, and documentation often hinder interoperability, reuse, and…

Recent work identified clarity as one of the top quality attributes that notebook users value, but notebooks lack support for maintaining clarity throughout the exploratory phases of the notebook authoring workflow. We propose always-clear…

Human-Computer Interaction · Computer Science 2026-03-02 Ruanqianqian Huang , Brian Hempel , Yining Cao , James D. Hollan , Haijun Xia , Sorin Lerner

Literate computing has emerged as an important tool for computational studies and open science, with growing folklore of best practices. In this work, we report two case studies - one in computational magnetism and another in computational…

Mathematical Software · Computer Science 2021-04-02 Marijan Beg , Juliette Taka , Thomas Kluyver , Alexander Konovalov , Min Ragan-Kelley , Nicolas M. Thiéry , Hans Fangohr

Research in the data-intensive discipline of high energy physics (HEP) often relies on domain-specific digital contents. Reproducibility of research relies on proper preservation of these digital objects. This paper reflects on the…

High Energy Physics - Phenomenology · Physics 2023-03-17 Mark S. Neubauer , Avik Roy , Zijun Wang

Jupyter Notebooks are an enormously popular tool for creating and narrating computational research projects. They also have enormous potential for creating reproducible scientific research artifacts. Capturing the complete state of a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-18 Dimuthu Wannipurage , Suresh Marru , Marlon Pierce

Diverse presentation formats play a pivotal role in effectively conveying code and analytical processes during data analysis. One increasingly popular format is tutorial videos, particularly those based on Jupyter notebooks, which offer an…

Human-Computer Interaction · Computer Science 2024-08-05 Yang Ouyang , Leixian Shen , Yun Wang , Quan Li

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

The lack of scientific openness is identified as one of the key challenges of computational reproducibility. In addition to Open Data, Free and Open-source Software (FOSS) and Open Hardware (OH) can address this challenge by introducing…

Digital Libraries · Computer Science 2023-04-18 Nadica Miljković , Ana Trisovic , Limor Peer

Interactive notebooks are a precious tool for creating graphical user interfaces and teaching materials. Python and Jupyter are becoming increasingly popular in this context, with Jupyter widgets at the core of the interactive…

Physics Education · Physics 2024-09-02 Dou Du , Taylor J. Baird , Kristjan Eimre , Sara Bonella , Giovanni Pizzi

In computational science and in computer science, research software is a central asset for research. Computational science is the application of computer science and software engineering principles to solving scientific problems, whereas…

Software Engineering · Computer Science 2019-08-19 Wilhelm Hasselbring , Leslie Carr , Simon Hettrick , Heather Packer , Thanassis Tiropanis

Jupyter notebooks are increasingly being adopted by teachers to deliver interactive practical sessions to their students. Notebooks come with many attractive features, such as the ability to combine textual explanations, multimedia content,…

Computers and Society · Computer Science 2023-09-29 Christophe Casseau , Jean-Rémy Falleri , Thomas Degueule , Xavier Blanc

The FAIR (Findable, Accessible, Interoperable, and Reusable) data principles [1] promote the interoperability of scientific data by encouraging the use of persistent identifiers, standardized vocabularies, and formal metadata structures.…

Virtual Research Environments (VREs) provide user-centric support in the lifecycle of research activities, e.g., discovering and accessing research assets, or composing and executing application workflows. A typical VRE is often implemented…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-19 Zhiming Zhao , Spiros Koulouzis , Riccardo Bianchi , Siamak Farshidi , Zeshun Shi , Ruyue Xin , Yuandou Wang , Na Li , Yifang Shi , Joris Timmermans , W. Daniel Kissling

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

This paper extends the FAIR (Findable, Accessible, Interoperable, Reusable) guidelines to provide criteria for assessing if software conforms to best practices in open source. By adding 'USE' (User-Centered, Sustainable, Equitable),…

Software Engineering · Computer Science 2024-04-04 Raphael Sonabend , Hugo Gruson , Leo Wolansky , Agnes Kiragga , Daniel S. Katz

Interactive notebooks, such as Jupyter, have revolutionized the field of data science by providing an integrated environment for data, code, and documentation. However, their adoption by robotics researchers and model developers has been…

Computational Engineering, Finance, and Science · Computer Science 2024-05-15 Rolando Garcia

We report a user-friendly software environment for battery data science. It is designed to streamline data management, data cleaning, and data analysis to help bridge the gap between the domain expertise of most battery scientists and the…

Systems and Control · Electrical Eng. & Systems 2022-02-04 Robert Masse , Dan Ulery , Hardik Kamdar

The FAIR Principles aim to make data and knowledge Findable, Accessible, Interoperable, and Reusable, yet current digital infrastructures often lack a unifying semantic framework that bridges human cognition and machine-actionability. In…

Databases · Computer Science 2025-10-01 Lars Vogt , Barend Mons