I am a theoretical materials scientist and broadly interested in using density functional theory (DFT) to reveal materials process-structure-property relationships. My special focus is to understand the formation principle of atomic structures, which depends on process conditions, by predicting the anisotropic interaction between solid surfaces and their environments. I employ bottom-up computational approaches that combine DFT calculations with a variety of materials theory. Recently, I am interested in developing a computational methodology applicable to a wide range of materials, and particularly devoted to leveraging the mathematical foundations of crystallography, machine learning, and graph theory into materials design.