# fairchem-mcp

> Use this tool when you need to interactively steer molecular simulations, such as relaxations, MD, and minima searches, with live monitoring and code introspection. It solves problems of inefficient simulation workflows by allowing LLM agents to load a model once and adjust simulations mid-flight. The fairchem-mcp server takes in simulation parameters and model inputs, and outputs real-time simulation results and introspection data.

Canonical page: https://skillsregistry.net/skills/jkitchin-fairchem-mcp  
JSON: https://api.skillsregistry.net/v1/skills/jkitchin-fairchem-mcp

## Description

An interactive MCP server for FAIRChem and ASE simulations that allows LLM agents to load a model once and steer relaxations, MD, NEB, phonons, and minima searches mid-flight, with live monitoring and code introspection.

## Trust

- **Trust score (0–1):** 1.00
- **Verification tier:** verified
- **Last scanned:** 2026-09-19

## Facts

- **Version:** 1.0.0
- **Skill type:** atomic
- **Execution layer:** mcp-remote
- **Runtime environment:** api
- **Category:** ai-ml
- **Updated:** 2026-09-19

## Source

- **Source listing:** [Glama](https://glama.ai/mcp/servers/zqsop54wv1)
- **Repository:** <https://github.com/jkitchin/fairchem-mcp>

## Use it

Resolve this record through the SkillsRegistry MCP server (no auth, read-only):

```
claude mcp add --transport http --scope user skillsregistry https://api.skillsregistry.net/mcp
```

```json
{
  "jsonrpc": "2.0",
  "id": 1,
  "method": "tools/call",
  "params": {
    "name": "get_skill",
    "arguments": {
      "slug": "jkitchin-fairchem-mcp"
    }
  }
}
```

REST: `GET https://api.skillsregistry.net/v1/skills/jkitchin-fairchem-mcp` · pull for local use: `GET https://api.skillsregistry.net/v1/skills/jkitchin-fairchem-mcp/pull`

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SkillsRegistry indexes agent skills from public registries and GitHub. Skills we have analysed are scanned with Circle-IR and scored on six dimensions; each listing states its scan coverage. More: https://skillsregistry.net/llms.txt