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Found 1,880 Skills
Map computational materials tasks onto workflow engines such as atomate2, jobflow, AiiDA, pyiron, or a simple one-off script. Use when deciding how to structure a reproducible campaign, DAG, restart strategy, provenance record, storage layout, or migration path from ad hoc scripts to managed workflows.
Orchestrate multi-simulation campaigns — generate parameter sweep configurations (grid, linspace, or Latin Hypercube sampling), initialize and track batch job campaigns, monitor job completion status, and aggregate results with summary statistics across all runs. Use when running a parameter study across dt, kappa, or other simulation inputs, managing dozens or hundreds of simulation configurations, combining outputs from completed batch runs to find the best result, or automating the generate-run-collect workflow for systematic studies, even if the user only says "I need to try many parameter combinations" or "how do I organize a sweep."
Create FAIR-minded reproducibility bundles for materials simulations by collecting input/output file inventories, hashes, units, engine versions, structure identifiers, provenance, and NOMAD/OPTIMADE/Materials Project friendly metadata. Use before publishing, sharing, archiving, or handing simulation results to another agent.
Plan and control time-step policies for transient simulations — couple CFL and physics-based stability limits with adaptive stepping, ramp initial transients through sharp gradients or phase changes, schedule output intervals and checkpoint cadence, and plan restart strategies for long-running jobs. Use when choosing dt for a new simulation, diagnosing adaptive time-step oscillations, deciding checkpoint frequency to minimize lost work, or setting up output schedules aligned with physical time scales, even if the user only says "my run is too slow" or "how often should I save."
Plan and evaluate mesh generation for numerical simulations — estimate grid resolution from physics scales (interface width, boundary layers, wavelengths), check aspect ratios and skewness against quality thresholds, choose between structured, unstructured, and adaptive mesh refinement strategies, and compute grid sizing for 1D/2D/3D domains. Use when setting up a new mesh, diagnosing poor solver convergence caused by mesh quality, deciding how many points to place across a phase-field interface or boundary layer, or preparing a mesh convergence study, even if the user only asks "what resolution do I need" or "why is my solver failing."
MCP (Model Context Protocol) - Build AI-native servers with tools, resources, and prompts. TypeScript/Python SDKs for Claude Desktop integration.
Get portfolio positions from Interactive Brokers. Use when user asks about their portfolio, positions, holdings, or what stocks they own. Requires TWS or IB Gateway running locally.
Upload local assets (images, mockups, extracted HTML) to a Stitch project. ALWAYS use this skill when you need to upload visual assets or full HTML pages to Stitch, particularly when direct MCP tool calls fail or truncate due to base64 token limits.