Modeling of Structural Materials:
Application under extreme conditions, such as fusion reactors, shock deformation, and radiation damage.
Research
Modeling of Functional Materials:
Application of bulk and low-dimensional materials for energy to electronic applications. 
Materials Informatics:
Leveraging machine learning algorithms to expedite understanding and development of materials. 
Quantum Computing:
Assessing quantum advantage for quantum chemistry applications.
Virtual Characterization:
Develop and utilize tools (texture and diffraction analyses) for atomistic data.