algorithmic efficiency

What are the Challenges in Achieving Algorithmic Efficiency in Catalysis?

Several challenges need to be addressed to achieve algorithmic efficiency in catalysis:
Complexity of Catalytic Systems: Catalytic systems often involve complex interactions that are difficult to model accurately.
Data Quality: High-quality, extensive datasets are required for machine learning models to be effective.
Computational Resources: High-performance computing resources are essential to run advanced algorithms and simulations efficiently.
Interdisciplinary Knowledge: Combining expertise from chemistry, physics, computer science, and engineering is necessary to develop and implement efficient algorithms.

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