I want to computationally design and predict the properties of matter via relating the microscopic theories (quantum mechanics, molecular thermodynamics, etc..) to the macroscopic properties (continuum mechanics). I want to do this for all types of materials to design and predict electromagnetic, optical, mechanical, and thermodynamic properties. Basically, I want to theoretically and mathematically establish relationships between the atomic and molecular properties of matter to the macroscopic continuum properties, and then use those relationships to rationally design materials for whatever purpose. I'm currently a 3rd year mechanical engineering student and I've doing molecular mechanics/modeling and materials science research for about a year in the chemical engineering department, but the professor always says that this is not traditional chemical engineering research. I've seen many people in the materials science and mechanical engineering departments doing research on what I mentioned, but which graduate program is best suited for getting further involved in this type of research?