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)
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