Machine Learning for Predicting Gas Adsorption Capacities of Metal Organic Framework

Metal organic frameworks (MOFs) have been widely used in gas adsorption-based applications due to their high porosities and modification in chemical and physical properties. There are many MOFs available for applications. However, gas adsorption capacities are not known for most MOFs and it is not practical to experimentally test their gas adsorption capacities. Therefore, a variety of machine learning models have been developed for predicting gas adsorption capacities of MOFs. In this chapter, we summarized the machine learning models developed for predicting gas adsorption capacities of MOFs and their applications.