Catalysis Hub for Claude Desktop

What is Catalysis Hub for Claude Desktop?

Catalysis Hub for Claude Desktop connects Claude Desktop to the Catalysis Hub database, enabling conversational search and analysis of computational catalysis research data. It is designed for researchers and students who want to query reaction energetics, surface structures, DFT calculation parameters, and publication metadata without navigating complex databases.

How to use Catalysis Hub for Claude Desktop?

Add the server configuration to Claude Desktop’s mcpServers section using the command npx mcp-remote https://catalysis-hub-mcp-server.quentincody.workers.dev/sse, then restart the application. Once set up, tell Claude to use the “catalysis-hub” tool to run GraphQL queries against the database.

Key features of Catalysis Hub for Claude Desktop

• Search computational catalysis data by reaction, material, or publication
• Retrieve reaction energetics, barriers, and surface properties
• Access Density Functional Theory (DFT) calculation parameters
• Query publication metadata and references

Use cases of Catalysis Hub for Claude Desktop

• List recent publications on a catalysis topic (e.g., CO2 reduction)
• Find and compare adsorption energies across different metal surfaces
• Explore reaction mechanisms (e.g., oxygen evolution on oxide catalysts)

FAQ from Catalysis Hub for Claude Desktop

What if Claude says it can’t access Catalysis Hub?

Ensure the configuration was added correctly to Claude Desktop, restart the application completely, and be specific when asking Claude to use the “catalysis-hub” tool. If errors persist, ask Claude to run an introspection query first to understand the database schema.

Which database does this server connect to?

It connects to the Catalysis Hub database, which contains computational catalysis research data including reaction energetics, surface structures, DFT parameters, and publication metadata.

What transport or authentication is used?

The server uses SSE (Server-Sent Events) via a remote endpoint; no authentication details are mentioned in the README.

How do I install the server on Claude Desktop?

Open Claude Desktop, go to Settings > Developer > Edit Config, add the provided JSON block to mcpServers, save the file, and restart Claude Desktop. No separate package installation is required.

Can I query the database without knowing GraphQL?

Yes—you can ask Claude questions in natural language, and Claude will use the underlying GraphQL interface to retrieve the relevant data.