Data-Mining Approaches to Find New Materials

In this presentation I will introduce electronic structure theory, and describe how information calculated without input from experiments (so called ab-initio theory) can be used to find materials with potentially tailored properties. Examples will be given for potentially new superconductors, new two-dimensional materials as well as correlated electronic structures where the Kondo effects sets in. I will also outline how theory can be used to make a connection to an effective spin-Hamiltonian, for investigations of magnetization dynamics at time-scales down to sub-pico-seconds, and examples of simulations of all-thermal switching will be given.