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Materials Cloud, a platform for open computational science
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Materials Cloud, a platform for open computational science (2020)Materials Cloud, a platform for open comp…AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance (2020)AiiDA 1.0, a scalable computa…Why Jupyter is data scientists’ computational notebook of choice (2018)Why Jupyter is data scientist…AiiDA: automated interactive infrastructure and database for computational science (2015)AiiDA: automated interactive …The top 100 papers (2014)The top 100 papersOpen computational materials science (2024)Open computational materials …AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories (2024)AlabOS: a Python-based reconf…Linking scientific instruments and computation: Patterns, technologies, and experiences (2022)Linking scientific instrument…Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows (2020)Workflows in AiiDA: Engineeri…AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows (2020)AiiDAlab – an ecosystem for d…An object-oriented scripting interface to a legacy electronic structure code (2002)The Open Provenance Model core specification (v1.1) (2010)The Taverna workflow suite: designing and executing workflows of Web Services on the desktop, web or in the cloud (2013)pyiron: An integrated development environment for computational materials science (2019)STATISTICAL METHODS FOR ASSESSING AGREEMENT BETWEEN TWO METHODS OF CLINICAL MEASUREMENT (1986)Meta-research: Evaluation and Improvement of Research Methods and Practices (2015)What are 'good' depression symptoms? Comparing the centrality of DSM and non-DSM symptoms of depression in a network analysis (2015)The 52 symptoms of major depression: Lack of content overlap among seven common depression scales (2016)Reproducible Research in Computational Science (2011)FireWorks: a dynamic workflow system designed for high‐throughput applications (2015)A dynamic knowledge graph approach to distributed self-driving laboratories (2024)Taverna: a tool for the composition and enactment of bioinformatics workflows (2004)SimStack: An Intuitive Workflow Framework (2022)Brokering between tenants for an international materials acceleration platform (2023)Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative (2025)Materials Cloud, a platform for open computational science (2020)FAIRSCAPE: a Framework for FAIR and Reproducible Biomedical Analytics (2021)A bridge between trust and control: computational workflows meet automated battery cycling (2024)Design Patterns: Elements of Reusable Object-Oriented Software (1994)Galaxy: a comprehensive approach for supporting accessible, reproducible, and transparent computational research in the life sciences (2010)Jupyter Notebooks – a publishing format for reproducible computational workflows (2016)Globus automation services: Research process automation across the space–time continuum (2023)What is missing in autonomous discovery: open challenges for the community (2023)Reproducible Research in Computational Chemistry of Materials (2017)Bluesky's Ahead: A Multi-Facility Collaboration for an a la Carte Software Project for Data Acquisition and Management (2019)IvoryOS: an interoperable web interface for orchestrating Python-based self-driving laboratories (2025)Assessing and restoring reproducibility of Jupyter notebooks (2020)Appyters: Turning Jupyter Notebooks into data-driven web apps (2021)The five pillars of computational reproducibility: bioinformatics and beyond (2023)
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References

  • 2015AiiDA: automated interactive infrastructure and database for computational science602 cited
  • 2014The top 100 papers510 cited
  • 2018Why Jupyter is data scientists’ computational notebook of choice354 cited
  • 2020AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance345 cited

Cited by

  • 2020Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows166 cited
  • 2020AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows86 cited
  • 2022Linking scientific instruments and computation: Patterns, technologies, and experiences46 cited
  • 2024AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories34 cited
  • 2024Open computational materials science7 cited

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