abacus-mcp-server
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.
- Score
- 63.6942 signals
- Evidence
- 9 stars · 2 forks
- Last commit
- as last read from GitHub; most reads are from 2 Sep 2026 or later
- Listed
Install
No one-command install. Set it up from its source.
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What it is
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.
When to use it
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.
How to install / invoke
See Glama for the install config.
Notes
Listed from the Glama MCP registry.