It has been explored why quantum chemistry is applied to the research field of cement chemistry.The fundamental theory of SCC-DV-Xα computational method of quantum chemistry is synopsized. The results obtained by computational quantum chemistry method in recent years of valence-bond structures and hydration activityof some cement clinker minerals, mechanical strength and stabilization, of some hydrates are summarized and evaluated. Finally the prospects of the future application of quantum chemistry to cement chemistry are depicted.