Subsurface gas storage refers to the practice of storing natural gas or other gases in underground reservoirs. It plays a crucial role in ensuring a stable and reliable supply of energy, especially during periods of high demand or supply disruptions. This work collectively highlights the significance of the microscopic and mesoscopic reservoir simulation techniques developed for subsurface gas storage. Specific technology progresses are demonstrated for a better storage of hydrogen and carbon dioxide, which meets well with the current focus on carbon reduction. In particular, molecular dynamics simulations can provide insight for the microscopic mechanisms affecting the adsorption and leakage of stored gas. Pore-network model generated using the advanced algorithm can determine the geological scenario for further flow and transport simulations.