Oct 20, 2016 · In Quantum Chemistry, many tasks are reoccurring frequently, e.g. geometry optimizations, benchmarking series etc. Here, workflows can help ...
new concept for regularly occurring tasks in quantum chemistry - PubMed
pubmed.ncbi.nlm.nih.gov › ...
To address these issues we propose developing atomic workflows and embedding them in meta-workflows. Atomic workflows deliver a well-defined research domain ...
Jun 21, 2024 · We formally specify atomic and meta-workflows in order to define data structures to be used in repositories for uploading and sharing them.
Multi-level meta-workflows: new concept for regularly occurring ...
www.ncbi.nlm.nih.gov › PMC5073744
Oct 20, 2016 · In Quantum Chemistry, many tasks are reoccurring frequently, e.g. geometry optimizations, benchmarking series etc. Here, workflows can help to ...
To address these issues we propose developing atomic workflows and embedding them in meta‑workflows. Atomic workflows deliver a well‑defined research domain ...
Oct 20, 2016 · We formally specify atomic and meta-workflows in order to define data structures to be used in repositories for uploading and sharing them.
Dive into the research topics of 'Multi-level meta-workflows: New concept for regularly occurring tasks in quantum chemistry'. Together they form a unique ...
Institute of Inorganic Chemistry. Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry. Arshad, Junaid; Hoffmann ...
Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry ... Authors: Junaid Arshad; Alexander Hoffmann; Sandra Gesing; Richard ...
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