Multi-level Meta-workflows: New Concept for Regularly Occurring Tasks in Quantum Chemistry
- Submitting institution
-
The University of Westminster
- Unit of assessment
- 11 - Computer Science and Informatics
- Output identifier
- 9yxv4
- Type
- D - Journal article
- DOI
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10.1186/s13321-016-0169-8
- Title of journal
- Journal of Cheminformatics
- Article number
- -
- First page
- 58
- Volume
- 8
- Issue
- -
- ISSN
- 1758-2946
- Open access status
- Compliant
- Month of publication
- October
- Year of publication
- 2016
- URL
-
-
- Supplementary information
-
-
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
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7
- Research group(s)
-
-
- Citation count
- 2
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- The paper presents the concept and formal description of multi-level meta-workflows. This concept is built on atomic workflows that can be used as building blocks of complex meta-workflows. It goes significantly beyond the state of the art allowing scientists to elaborate libraries of atomic workflows of specific scientific domains. Scientists can combine atomic workflows into multi-level meta-workflows significantly decreasing development efforts. Several research communities, such as Astrophysics, Bio-science, Computational Chemistry Quantum Chemistry, etc. widely use this concept to develop and run scientific workflows in the Cloud and the Grid within the framework the FP7 ER-flow project (http://www.erflow.eu/platform) and beyond.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -
