TURBOMOLE

TURBOMOLE is a program package for quantum-chemical calculations on molecules and solids.

This connector gives your AI the input generator and the structure library of the TURBOMOLE online manual (manual.turbomole.org). Describe a calculation in plain words, such as a geometry optimization, excited states, NMR shieldings or couplings, EPR parameters, GW, coupled cluster or a periodic band structure, and your AI returns the TURBOMOLE control file, the coordinates, the commands that run them and how to tell that the run worked.

MCP connector

Server URL: https://manual.turbomole.org/mcp
Login: None
Protocol: MCP 2025-11-25
Instructions: TURBOMOLE input files from the input generator of the TURBOMOLE manual, which offers only combinations tested with the release. lists the settings that apply; gives the control file, the commands that run it and how to tell that it worked. Structures: and (the builder's library), or a coord or XYZ file of your own.

Tools

Reads data4

Skills

None in the store listings or on the server