Our research focuses on the development and application of materials theory to accelerate the understanding, discovery, and design of materials.

We develop first-principles electronic structure methods and atomistic simulation methods to enable theoretical predictions and fundamental understandings of materials' properties.

We are looking for higly motivated PhD, master's, and undergraduate students interested in theory, simulation, and method development for fundamental understandings of materials.

Students with a background in physics, chemistry, materials science, or computer science are encouraged to contact Prof. Xiaofeng Qian at feng@tamu.edu.