Title : All-electron electronic structure theory for new materials for light harvesting and light emission
Title : Vibrational effects in electronic structure: Temperature-dependence, zero-point motion, spectral functions
Title : Topological and Interaction Effects in Atomically Thin 1D & 2D Materials
Title : 2D, or not 2D?
Title : First principle investigation of defect properties in energy materials
Title : Topological crystalline insulator: from symmetry indicators to material discovery
Title : Topics of Two-Dimensional Materials and Their Heterostructures
Title :Toward the Better First-principles Description of Correlated Materials: Old Functionals and New Concepts
Title : Origin of high thermoelectric performance in n- and p-type SnSe crystals
Title : First-principles study of Berry-phase-mediated thermoelectric effects
Title : DFT Mechanistic Study of Carbon-Doped Boron Nitride Nanosheet as Highly Efficient Metal-Free Catalyst for NO Reduction
Title : Spin-orbital-entangled Jeff=1/2 state in 3d transition metal oxide CuAl2O4
Title : Novel Materials for Ferroelectric Photovoltaics
Title : Topological Materials
Title : Engineering spin-valley physics in transition metal dichalcogenide bilayers
Title : Quasiparticle spectra based on wave function theory: Application of coupled-cluster theory and self-energy functional theory
Title : First-principles theoretical study of catalytic reactions at surfaces and interfaces
Title :Band topologies and spin-phonon dynamics of spin-orbit coupled insulators: a study with the real-time TDDFT
Title : Electronic and Optical Properties of 2D-material-based Heterostructures
Title : First-principles theory of defect-based spin qubits in heterogeneous semiconductors
Title : First-principles investigations of nonequilibrium states of periodically driven black phosphorous
Title : TDDFT study of electron scattering processes
Title : High-throughput first-principles phonon calculation and phonon database
Title : Towards ideal topological materials: Comprehensive database searches using efficient symmetry indicators
Title : Atom dynamics in solids studied by machine-learning techniques
Title : Strain-Induced Half-Metallic States in Graphene: Application of Generalized Bloch Theorem
