software

How does software aid in the design of new catalysts?

Software aids in the design of new catalysts by providing tools for computational modeling and simulation. These tools allow researchers to:
Predict reaction pathways and intermediates, helping to identify the most promising catalytic materials.
Optimize catalyst structures at the atomic level to enhance performance and selectivity.
Screen large libraries of potential catalysts rapidly using high-throughput computational techniques.
Understand deactivation mechanisms to improve catalyst longevity.
This accelerates the discovery and development process, saving time and resources.

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