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Materials informatics, data-enabled investigation, is a "fourth paradigm" in materials science research after the conventional empirical approach, theoretical science, and computational research. Materials informatics has two essential…

Materials Science · Physics 2023-05-09 Bhupesh Bishnoi

Mining Software Repositories (MSRs) is an evidence-based methodology that cross-links data to uncover actionable information about software systems. Empirical studies in software engineering often leverage MSR techniques as they allow…

Software Engineering · Computer Science 2022-02-25 Melina Vidoni , Nicolás E. Díaz Ferreyra

Background: Data mining and analyzing of public Git software repositories is a growing research field. The tools used for studies that investigate a single project or a group of projects have been refined, but it is not clear whether the…

Software Engineering · Computer Science 2020-08-18 Adam Tutko , Austin Henley , Audris Mockus

We introduce M$^2$Hub, a toolkit for advancing machine learning in materials discovery. Machine learning has achieved remarkable progress in modeling molecular structures, especially biomolecules for drug discovery. However, the development…

The availability and easy access of large scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and…

Every day, new discoveries are made by researchers from all across the globe and fields. HICSS is a flagship venue to present and discuss such scientific advances. Yet, the activities carried out for any given research can hardly be fully…

Software Engineering · Computer Science 2025-09-10 Irdin Pekaric , Giovanni Apruzzese

The reproduction and replication of reported scientific results is a hot topic within the academic community. The retraction of numerous studies from a wide range of disciplines, from climate science to bioscience, has drawn the focus of…

Computational Engineering, Finance, and Science · Computer Science 2014-10-15 Tom Crick , Benjamin A. Hall , Samin Ishtiaq , Kenji Takeda

High-pressure research is a productive route to new structures and emergent properties. However, crucial high-pressure structural information remains highly fragmented across individual publications and heterogeneous computational…

2D materials find promising applications in next-generation devices, however, large-scale, low-defect, and reproducible synthesis of 2D materials remains a challenging task. To assist in the selection of suitable substrates for the…

Materials Science · Physics 2021-12-08 Tara M. Boland , Arunima K. Singh

Context and motivation: Contribution Management helps firms engaged in Open Source Software (OSS) ecosystems to motivate what they should contribute and when, but also what they should focus their resources on and to what extent. Such…

Software Engineering · Computer Science 2022-08-05 Johan Linåker , Björn Regnell

[Background] In large open-source software projects, development knowledge is often fragmented across multiple artefacts and contributors such that individual stakeholders are generally unaware of the full breadth of the product features.…

Software Engineering · Computer Science 2024-08-05 Tim Puhlfürß , Lloyd Montgomery , Walid Maalej

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is a unified platform for multiscale, multimodal, forward, and inverse materials design. It integrates diverse theoretical and experimental approaches, including…

Materials Science · Physics 2025-08-12 Kamal Choudhary

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

The establishment of links between data (e.g., patient records) and Web resources (e.g., literature) and the proper visualization of such discovered knowledge is still a challenge in most Life Science domains (e.g., biomedicine). In this…

Information Retrieval · Computer Science 2010-12-09 R. Berlanga , E. Jimenez-Ruiz , V. Nebot

Data and algorithm sharing is an imperative part of data and AI-driven economies. The efficient sharing of data and algorithms relies on the active interplay between users, data providers, and algorithm providers. Although recommender…

Information Retrieval · Computer Science 2022-10-27 Peter Müllner , Stefan Schmerda , Dieter Theiler , Stefanie Lindstaedt , Dominik Kowald

Open-source scientific software is a major driver of scientific progress, yet its development and reuse remain difficult in collaborative settings. Researchers repeatedly face four recurring challenges: discovering and reproducing existing…

Digital Libraries · Computer Science 2026-04-22 Jan Philipp Albrecht , Deborah Schmidt , Lucas Rieckert , Maximilian Otto , Kyle Harrington

Modern materials science generates vast and diverse datasets from both experiments and computations, yet these multi-source, heterogeneous data often remain disconnected in isolated "silos". Here, we introduce MaterialsGalaxy, a…

Materials Science · Physics 2025-11-03 Tiannian Zhu , Zhong Fang , Quansheng Wu , Hongming Weng

Data science is an interdisciplinary research area where scientists are typically working with data coming from different fields. When using and analyzing data, the scientists implicitly agree to follow standards, procedures, and rules set…

Computers and Society · Computer Science 2023-02-03 Visara Urovi , Remzi Celebi , Chang Sun , Linda Rieswijk , Michael Erard , Arif Yilmaz , Kody Moodley , Parveen Kumar , Michel Dumontier

Information retrieval (IR) and recommender systems (RS) have been employed for addressing search tasks executed during literature review and the overall scholarly communication lifecycle. Majority of the studies have concentrated on…

Information Retrieval · Computer Science 2016-09-07 Aravind Sesagiri Raamkumar , Schubert Foo , Natalie Pang

The Agent Based Model community has a rich and diverse ecosystem of libraries, platforms, and applications to help modelers develop rigorous simulations. Despite this robust and diverse ecosystem, the complexity of life from microbial…

Computers and Society · Computer Science 2021-11-16 Thomas Pike , Samantha Golden , Daniel Lowdermilk , Brandon Luong , Benjamin Rosado
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