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Explore workflows, submit new runs, and view past resultsWorkflows
| Workflow Type | Primary Objective | Computational Cost | Output |
|---|---|---|---|
| Static Energy | Electronic ground state energy at fixed coordinates | Very Low | Total Energy |
| Relaxation | Geometry optimization to find local energy minimum | Very Low | Optimized Coordinates |
| Population Analysis | Detailed electronic dispersion and state density | Low | Electron Density |
| DOS & Band-Structure | Detailed electronic dispersion and state density | Medium | Band Gap (eV) |
| Diffusion | Nudged Elastic Band calculation for migration barriers | High | Activation Energy |
| Molecular Dynamics | Finite temperature time-dependent simulations | High | Trajectories, MSD |
| Fixed-Composition Search | Structure prediction of a fixed stoichiometry (LiCoO2) | High | Phase Stability |
| Chemical System Search | Structure prediction across a chemical space (Li-Co-O) | Very High | Phase Diagrams |