Quantum Theory of Materials

This research line develops and applies advanced theoretical and computational methods to understand and predict material properties at the quantum level within condensed matter theory. This includes electronic, magnetic, and vibrational behavior, with emphasis on many-body effects, such as electron–phonon interactions, and symmetry-driven phenomena such as topological states. Special focus is placed on low-dimensional systems, complex magnetism, strongly correlated systems, superconductivity, and nonlinear optical responses, as well as emergent phases under extreme conditions. Methodologically, the approach goes beyond standard density functional theory, combining first-principles methods with advanced numerical techniques enabled by high-performance computing. In-house computational tools for many-body excitations and automated symmetry-based prediction of topological properties are also developed and shared with the scientific community.