What Are Some Examples of Parallel Algorithms in Catalysis?
Several parallel algorithms are commonly used in catalysis research:
Monte Carlo simulations: These algorithms use random sampling to understand the statistical properties of catalytic systems and can be easily parallelized. Genetic algorithms: Used for optimizing catalyst structures, these algorithms simulate the process of natural evolution by evaluating multiple candidate solutions simultaneously. Density Functional Theory (DFT): Parallel implementations of DFT allow for the study of electronic structures in large systems, crucial for understanding catalytic mechanisms.
