Artificial Design of Porous Materials

Abstract

In this presentation, I will explore the new trend of designing novel porous materials using artificial design principles. I will talk about using our in-house developed generative adversarial network (GAN) software to create (for the first time) porous materials. Moreover, we have successfully implemented inverse-design in our GAN prompting ways to train our AI to create porous materials with user-desired methane adsorption capacity [1]. Next, we incorporate machine learning with genetic algorithm to design optimal metal-organic frameworks suitable for many different applications including methane storage and gas separations [2-3]. Finally, we demonstrate usage of text mining to collect wealth of data from published papers to predict optimal synthesis conditions for porous materials [4]. Overall, machine learning and artificial design can accelerate the materials discovery and expedite the process to deploy new materials for many different applications.