Hands-on work shop on Questaal electronic structure method: June 2019
All properties of a materials system ultimately can be reduced to its electronic structure.
Using first-principles calculations based on density functional theory and many-body perturbation theory, our group studies a variety of materials, such as: halide perovskites, ultrathin layered materials (graphene, transition metal dichalcogenides, V2O5), complex oxides, ternary nitride semiconductors, rare-earth and transition metal nitrides.
Following the links above, you can find out more about our on-going projects, people and publications.