What are the Common Techniques to Improve Algorithmic Efficiency in Catalysis?
Several techniques can enhance the efficiency of algorithms in catalytic studies:
Parallel Computing: Distributing computations across multiple processors to speed up the process. Machine Learning: Employing machine learning models to predict catalytic activity, thus reducing the need for extensive computations. QM/MM Methods: Combining quantum mechanics for the active site with molecular mechanics for the rest of the system to balance accuracy and efficiency. Algorithm Optimization: Refining existing algorithms to reduce their computational complexity.
