I am mainly
working on problems in Computational Solid State Physics, especially related to
phonons and dielectric responses. Both are modelled using ab initio methods,
which basically solve the electronic Schrödinger equation (to some level of
approximation). Part of my research is to optimise the numerical methods we use
in our daily calculations.
related to dielectric responses are for example dielectric functions, electron
energy loss spectra (EELS) and excitons. Some of our observables, like the EELS
are useful tools for the characterisation of materials (which can be used also
in conjunction with experiments), while exciton properties are more relevant
for organic solar cell research.
Phonons are also interesting
for structural characterisation of materials. From the phonon properties we can
also derive infrared (IR) and Raman spectra, which again allow us to relate to
experimental findings. For example matching a measured IR or Raman signal to a
structural phase or defect.