Analyses suggested that we would be unable to handle a large enough number of atoms directly by this method, to investigate the macroscopic phenomena in the near future. On the other hand, multi-scale simulations, in which different methods of simulation from micro- to macro-scales are interconnected, are becoming a realistic means of bridging the gap between the micro- and macro-scales. However, trial and error is vital to multi-scale simulations, for determining how to combine the methods in question and/or how to select the feature values necessary to describe the macroscopic phenomena in focus. In order to discern the optimal combinations of methods and/or selects the feature values, it is effective to regard the whole system using a simple model, known as 1D CAE, that focuses only on functions rather than on describing the structure. We propose a scheme to establish a new method, applying 1D CAE in concert with “data-utilized materials research” as a revolutionary method to design materials.