What are the Key Benefits of Using HPC in Catalysis?
The adoption of HPC in catalysis research offers several advantages: - Accuracy: Enhanced precision in simulating electronic interactions and reaction pathways. - Speed: Significant reduction in computation time, allowing for rapid exploration of catalytic systems. - Scalability: Ability to handle large-scale simulations involving thousands of atoms and multiple reaction sites. - Predictive Power: Improved ability to predict the behavior of novel catalysts and reaction conditions, facilitating the development of more efficient and sustainable catalytic processes.
