The QMML is dedicated to uncovering the fundamental principles that govern emergent quantum phenomena in complex materials. Our research is driven by a central question: how do symmetry, topology, and many-body interactions give rise to novel quantum states and functionalities? By combining artificial intelligence, first-principles theory, and data-driven discovery, we seek to reveal the microscopic mechanisms underlying quantum matter and accelerate the development of materials for future quantum, energy, and information technologies. Our work bridges fundamental physics and materials innovation, connecting predictive computation with experimental realization to transform how quantum materials are discovered, understood, and engineered.

Our research integrates state-of-the-art computational and theoretical approaches within a unified framework. We employ machine learning, active learning, density functional theory (DFT), density functional perturbation theory (DFPT), tight-binding methods, and large-scale materials databases to predict, design, and understand quantum materials from the atomic scale upward. A particular emphasis of our work is understanding electron, spin, and lattice interactions that give rise to emergent collective behavior. We are especially interested in chiral phonons and proximity-driven phenomena, where interactions between neighboring quantum phases generate properties absent in the individual constituents. By combining physics-based modeling with artificial intelligence, we develop predictive strategies that accelerate materials discovery while providing fundamental insight into complex quantum systems.

Our scientific focus centers on the emergence of collective quantum behavior arising from the interplay of spin, charge, lattice, orbital, and topological degrees of freedom. We investigate a broad range of quantum materials, including altermagnets, chiral and topological materials, antiferromagnets, Moriya lattice systems, unconventional superconductors, and two-dimensional materials. A major thrust of our research is the study of emergent quasiparticles and collective excitations, including chiral phonons, skyrmions, merons, and charge-density waves, and the mechanisms governing their formation, stability, and control. We also explore proximity effects in quantum heterostructures as a pathway for engineering novel electronic, magnetic, and topological functionalities. Through close collaborations with researchers at national laboratories, universities, and industrial research centers, we address fundamental challenges at the frontiers of condensed matter physics and materials science. Supported by the National Science Foundation (NSF), the U.S. Department of Energy (DOE), the Air Force Research Laboratory (AFRL), IBM-HBCU initiatives, and Howard University, we are committed to advancing scientific discovery while educating and mentoring the next generation of scientists, engineers, and innovators.