Figure 1

A quantum computing methodology applied to CO₂ capture on Metal-Organic Frameworks. Al-fumarate molecule, a building block found in water stable MOF structures [23–26], has been chosen to investigate CO₂ adsorption in Al based MOFs as potential candidate for CO₂ capture [27, 28] (left). After fragmenting the fumarate (right), binding of the active Al site with the CO₂ molecule is determined by quantum computing, while fumarate fragments (gray bubbles) are treated with a classical computer quantum chemistry solver