In this project, CO2 is electrochemically converted into valuable C1, C2+ chemicals. In order to understand and optimized electro catalytic reactions, CEPL developed a DFT-KMC-CFD a multi scale model and found an optimal electrolyzer design. A novel continuous reaction-separation process was also designed, constructed, and operated. A Gaussian process Bayesian optimization algorithm is developed and implemented for finding optimum pilot operating condition. CEPL also developed a superstructure based techno-economic evaluation platform which can carry out process design, sizing, and costing without human intervention.