Welcome to Quantum Materials Modeling Lab in the Department of Physics and Astronomy at Howard University. Our research group’s mission is to predict and study the electronic structure and understanding the new quantum states from novel quantum materials, such as non-magnetic topological insulators, topological magnets, Weyl semimetal, Dirac Semimetals, Rashba systems, etc. One of the exciting aspects of these quantum materials' in the minimal physical dimension might open exciting new directions for research and eventually lead us to highly optimized quality and energy-efficient quantum computers and renewable energy sources. We are also interested in catalysis, fuel cell, ions batteries, ferroelectric materials, transitions state theory, etc.

Quantum mechanics and computational modeling are essential tools for studying the different properties and addressing many outstanding questions regarding quantum materials. Those tools can explain how the interplay between the wavefunction topology and the quantum interactions can generate new exotic quantum states. Furthermore, the combination of quantum mechanics and computational modeling can shed light on how to manipulate those exotic states using the external magnetic, electric, mechanical strain, chemical substitution, and so on. We use the first-principles calculations and tight-binding models to address the different complex problems related to the exotic quantum states of the novel quantum materials. Our group's research interests encompass six areas: (1) Magnetic Topological Insulators; (2) Quantum Computing; (3) Charge Density Wave (CDW); (4), Skyrmions; (5) Energy Materials; and (6) Catalysis. We are also interested in developing our code to explain novel quantum materials transports and spectroscopic properties.

On there hand, quantum chemical modeling is an essential component for robust analysis and explanations of the experimental results. Our group always collaborate with the experimentalists from the national lab and universities. We are interested in the new experimental and theoretical collaborators to advanced the research on quantum materials. If you are interested in our research works and join our group, please visit our research page to learn more about our research works.