The kernel is defined by 𝑥 -𝑥 ′ representing the Euclidean distance between 𝑥 and 𝑥′, while 𝑙 denotes the length scale parameter, which defines the characteristic length over which variations in the function occur. Additionally, α influences the balance between large-scale and small-scale fluctuations within the function by adjusting their respective weights. The Scikit-learn library was used for the GP implementation. In the Q-learning methodology, a surrogate model is used in approximating the adsorption behavior and guiding the agent's decision-making process. The GP, acting as this surrogate model, In Figure below, we show the sequence of the RL algorithm involving the states, actions, rewards, and the GP in use.