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Workflows

Explore workflows, submit new runs, and view past results

Beginner

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

All

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