Our research focuses on the development and application of quantum theory and AI for Science to accelerate the understanding, discovery, and design of materials for quantum, electronic, optical, and magnetic applicaitons.

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 quantum theory, simulation, and method development and AI for Science for predicting and understanding novel materials including quantum materials, 2D materials, and electronic, optical, and magnetic materials.

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