I want to computationally design and predict properties of matter (fluids and solids) via microscopic information and atomic theory. Molecular modeling applied to a variety of materials for prediction of electrical, magnetic, optical, and mechanical properties as well as bio compatibility. I also want to design theories to more efficiently carry out this task and show the relationship between macroscopic behavior and microscopic composition. Does this fall under Materials Science, Physics (condensed matter?), Chemistry, Chemical engineering, or something else? What is the best major to study to carry out this research in graduate school?