# abacus-mcp-server

> Use this tool when you need to perform AI-driven quantum chemistry and materials science calculations, solving problems such as molecular structure optimization and band structure analysis. It takes input parameters and molecular structures, outputting optimized geometries, energies, and other relevant properties. Ideal for use in contexts where first-principles calculations are required, such as materials design and discovery.

Canonical page: https://skillsregistry.net/skills/phelanshao-abacus-mcp-server  
JSON: https://api.skillsregistry.net/v1/skills/phelanshao-abacus-mcp-server

## Description

Enables AI-driven first-principles calculations for quantum chemistry and materials science using ABACUS, with tools for SCF, structure optimization, molecular dynamics, band structure, and intelligent parameter suggestions.

## Trust

- **Trust score (0–1):** 0.60
- **Verification tier:** unverified

## Facts

- **Version:** 1.0.0
- **Skill type:** atomic
- **Execution layer:** mcp-remote
- **Runtime environment:** api
- **Category:** other
- **Updated:** 2026-05-26

## Source

- **Source listing:** [Glama](https://glama.ai/mcp/servers/v98e617szc)
- **Repository:** <https://github.com/PhelanShao/abacus-mcp-server>

## 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": "phelanshao-abacus-mcp-server"
    }
  }
}
```

REST: `GET https://api.skillsregistry.net/v1/skills/phelanshao-abacus-mcp-server` · pull for local use: `GET https://api.skillsregistry.net/v1/skills/phelanshao-abacus-mcp-server/pull`

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