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nanohub-simulator-interface

// NanoHUB tool interface skill for accessing educational and research nanoscience simulations

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updated:March 4, 2026
SKILL.mdreadonly
SKILL.md Frontmatter
namenanohub-simulator-interface
descriptionNanoHUB tool interface skill for accessing educational and research nanoscience simulations
allowed-toolsRead,Write,Glob,Grep,Bash
metadata[object Object]

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)"
}