How Do Computational Facilities Impact Catalysis Research?
1. Accelerated Discovery: Computational methods can rapidly screen large libraries of materials, accelerating the discovery of new catalysts. 2. Understanding Complex Systems: They help in understanding complex catalytic systems and multifunctional catalysts that are difficult to study experimentally. 3. Custom Catalyst Design: Enables the design of custom catalysts tailored to specific reactions by predicting how changes in structure affect performance. 4. Environmental Impact: Optimizing catalytic processes can lead to more efficient and environmentally friendly industrial processes.
