Table 2 Structure of the quantum chemistry workflow library
From: Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry
Workflow library | Sub-libraries |
|---|---|
DOMAIN—quantum chemistry | SUB-DOMAIN1—basic operations |
SUB-DOMAIN2—spectroscopic analysis | |
SUB-DOMAIN3—optical benchmarking | |
SUB-DOMAIN4—structural benchmarking | |
SUB-DOMAIN5—inorganic polymerization catalysis |