nanohub-simulator-interface

NanoHUB tool interface skill for accessing educational and research nanoscience simulations

509 stars

Best use case

nanohub-simulator-interface is best used when you need a repeatable AI agent workflow instead of a one-off prompt.

NanoHUB tool interface skill for accessing educational and research nanoscience simulations

Teams using nanohub-simulator-interface should expect a more consistent output, faster repeated execution, less prompt rewriting.

When to use this skill

You want a reusable workflow that can be run more than once with consistent structure.

When not to use this skill

You only need a quick one-off answer and do not need a reusable workflow.
You cannot install or maintain the underlying files, dependencies, or repository context.

Installation

Claude Code / Cursor / Codex

$curl -o ~/.claude/skills/nanohub-simulator-interface/SKILL.md --create-dirs "https://raw.githubusercontent.com/a5c-ai/babysitter/main/library/specializations/domains/science/nanotechnology/skills/nanohub-simulator-interface/SKILL.md"

Manual Installation

Download SKILL.md from GitHub
Place it in .claude/skills/nanohub-simulator-interface/SKILL.md inside your project
Restart your AI agent — it will auto-discover the skill

How nanohub-simulator-interface Compares

Feature / Agent	nanohub-simulator-interface	Standard Approach
Platform Support	Not specified	Limited / Varies
Context Awareness	High	Baseline
Installation Complexity	Unknown	N/A

Frequently Asked Questions

What does this skill do?

NanoHUB tool interface skill for accessing educational and research nanoscience simulations

Where can I find the source code?

You can find the source code on GitHub using the link provided at the top of the page.

SKILL.md Source

# 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

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

## Output Schema

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