▎ 摘　　要

The potential impact of climate change is widely known as having serious consequences. The themes of water desalination and gas separation are closely related to the environment and energy industry. Graphene-based membranes are promising filtration devices for the two tasks. This review aims to supply a comprehensive overview of the recent computational studies investigating the performance of graphene-based membranes used in water desalination or gas separation. With the use of computational methods, the literature covered finds evidence for key factors, such as pore shape and density, affecting the performance of the investigated membranes. The reviewed studies are expected to act as an impulse towards more computational studies and eventually actual design of graphene-based membranes for water desalination and gas separation.