The research interests of the Material Physics and Mechanics group (MP&M) under Dr. Phanish Suryanarayana at Georgia Institute of Technology are broadly in the area of multiscale modeling of materials/structures. Specifically, the group is interested in developing mathematical and computational tools that allow for the accurate and efficient characterization of materials/structures at different length and temporal scales as well as the transition between them. The research work is highly interdisciplinary and lies at the intersection of mechanics, applied mathematics, physics, chemistry, materials science, and high performance computing. Overall, the goal is to design new materials/structures with unique and extraordinary properties that are tailored to technological applications.
Currently, the main research focus of the group is the development of novel formulations and massively parallel implementations of Kohn-Sham Density Functional Theory (DFT)—electronic structure method free from any empirical parameters by virtue of its origins in the first principles of quantum mechanics—and their application to previously intractable problems in mechanics, materials science, physics, and chemistry. The areas currently being targeted include the following