name: nanohub-simulator-interface description: NanoHUB tool interface skill for accessing educational and research nanoscience simulations allowed-tools:

• Read
• Write
• Glob
• Grep
• Bash metadata: specialization: nanotechnology domain: science category: computational priority: low phase: 6 tools-libraries:
  • NanoHUB API
  • Rappture toolkit

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

1. Tool Selection

   • Identify appropriate simulator
   • Understand input requirements
   • Check computational limits

2. Simulation Execution

   • Submit jobs via API
   • Monitor progress
   • Retrieve results

3. 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)"
}