Secondly, the recently proposed generative methods move the search for optimal MOF materials away from screening databases of the existing structures (which may not be functionally aligned with the objective of the screening) to generating MOFs, with structures optimized for the specific process. These approaches range from genetic algorithms to inverse design using Variational Autoencoders (VAE) to diffusion models such as MOFdiff and GHP-MOFassemble . These generative approaches have not been, however, coupled with process-level simulations for design of materials for post-combustion carbon capture.