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Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables.

, , , , , , , and . PASC, page 21:1-21:11. ACM, (2023)

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Leveraging semantics to improve reproducibility in scientific workflows, , , , , and . The reproducibility at XSEDE workshop, (2014)Metadata and Provenance Management., , , , , and . Scientific Data Management, CRC Press / Taylor & Francis, (2009)Comparing FutureGrid, Amazon EC2, and Open Science Grid for Scientific Workflows., , , , and . Comput. Sci. Eng., 15 (4): 20-29 (2013)FABRIC: A National-Scale Programmable Experimental Network Infrastructure., , , , , , , and . IEEE Internet Comput., 23 (6): 38-47 (2019)Pegasus in the Cloud: Science Automation through Workflow Technologies., , , , , and . IEEE Internet Comput., 20 (1): 70-76 (2016)Enabling parallel scientific applications with workflow tools., , , , , , , and . CLADE, page 55-60. IEEE Computer Society, (2006)Workflows and e-Science: An overview of workflow system features and capabilities., , , and . Future Gener. Comput. Syst., 25 (5): 528-540 (2009)BTS: Resource capacity estimate for time-targeted science workflows., , , , and . J. Parallel Distributed Comput., 71 (6): 848-862 (2011)Applications of Virtual Data in the LIGO Experiment., , , , , and . PPAM, volume 2328 of Lecture Notes in Computer Science, page 23-34. Springer, (2001)Evaluating I/O aware network management for scientific workflows on networked clouds., , , , , , and . NDM@SC, page 2:1-2:10. ACM, (2013)