High-entropy carbide ceramics (HECCs) materials that are made up of more than four metal carbides, have great significances in the field of ultra-high temperature service environment because of their great thermal stability. Compared with single metal carbides, HECCs materials involve complicated combination of ingredients, multiple scale dimensions design and multi-field coupling service environment, accompanying with an inefficient developing by traditional empirical trial-and-error method. Fortunately, with the development of computational materials science, multi-scale simulation calculation methods improve the research and application efficiency of HECCs. This work briefly summarized the principle and calculation process of the representative first-principles calculations method, and then reviewed the usability in the estimation of composition stability, structural design and mechanical property of HECCs. Finally, the prospect of the first-principles calculation method in the study of HECCs was prospected.