"author:PhelanShao" matching MCP servers:

• abacus-mcp-server

  PhelanShao

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  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.

  Last updated 2025-05-30

  9

  GPL 3.0

• PLUMED2 MCP Server

  PhelanShao

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  Enables AI assistants to generate, validate, and optimize PLUMED input files for molecular dynamics simulations, with templates and performance suggestions.

  Last updated 2025-06-01

  12

  GPL 3.0

• XTB MCP Server

  PhelanShao

  F

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  An MCP server that provides tools for generating Extended Tight-Binding (XTB) quantum chemistry input files, enabling AI assistants to automate quantum chemistry calculations and workflows.

  Last updated 2025-06-01

  16