nanohub-simulator-interface

Apps & Automation

NanoHUB tool interface skill for accessing educational and research nanoscience simulations

QUICK START

How to use this skill

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Prompt to paste

I want to install this Agent Skill for this project in Codex.

Source SKILL.md: https://github.com/a5c-ai/babysitter/blob/HEAD/library/specializations/domains/science/nanotechnology/skills/nanohub-simulator-interface/SKILL.md

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First, summarize what it does, its dependencies, license status if identifiable, and any risks. Show the exact files you propose to add under .agents/skills/nanohub-simulator-interface/. Do not write files or run scripts until I approve.

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NanoHUB Simulator Interface

Purpose

The NanoHUB Simulator Interface skill provides access to online nanoscience simulation tools from NanoHUB, enabling quick calculations and educational exploration of nanoscale phenomena.

Capabilities

Quantum dot simulations (NEMO)
CNT property calculators
Nanowire transport modeling
Band structure visualization
Interactive simulation execution
Result extraction and analysis

Usage Guidelines

NanoHUB Integration

Tool Selection
- Identify appropriate simulator
- Understand input requirements
- Check computational limits
Simulation Execution
- Submit jobs via API
- Monitor progress
- Retrieve results
Analysis
- Parse output files
- Extract key parameters
- Visualize results

Process Integration

Multiscale Modeling Integration
DFT Calculation Pipeline for Nanomaterials

Input Schema

{
  "tool_name": "string",
  "input_parameters": {},
  "execution_mode": "batch|interactive"
}

Output Schema

{
  "job_id": "string",
  "status": "completed|running|failed",
  "results": {},
  "output_files": ["string"],
  "execution_time": "number (seconds)"
}