Contact

Prof. Dr. Caterina Cocchi

 

Bachelor and Master theses

We offer Bachelor and Master theses covering all our research areas. Knowledge of quantum mechanics is the only prerequisite to join our team as a student. You will receive the necessary training to carry out any of the proposed projects. 

Area 1: Ultrafast dynamics in materials and interfaces

Bachelor topics:

We offer Bachelor theses focused on the electron-electron, electron-vibrational, and electron-photon interactions in prototypical molecular and crystalline systems excited by ultrashort laser pulses. Research methods are based on RT-TDDFT. These topics are fully integrated into our on-going projects in this research area. Collaborations with local and external experimental partner groups are envisioned. Exemplary topics are:

  • Electron-vibrational interactions in laser-excited molecules
  • Laser-dependent transient absorption spectra in simple molecules or crystals
Master topics:

We offer Master theses in the field of ultrafast dynamics and laser-induced charge transfer in different kind of organic, inorganic, and hybrid interfaces. Research methods are based on RT-TDDFT. These topics are fully integrated into our on-going projects in this research area. Collaborations with local and external experimental partner groups are envisioned. Exemplary topics are:

  • Ultrafast charge transfer in low-dimensional heterostructures
  • Ultrafast charge transfer in donor/acceptor interfaces

Area 2: Light-matter interaction in organic semiconductors

Bachelor topics:

We offer Bachelor theses addressing electronic, optical, and vibrational properties of organic semiconductors and donor/acceptor complexes. Research methods are based on (TD)DFT and MBPT. These topics are fully integrated into our on-going projects in this research area. Collaborations with local and external experimental partner groups are envisioned. Exemplary topics are:

  • Electronic and optical properties of donor/acceptor molecules and complexes
  • Vibrational spectra of donor/acceptor molecules and complexes
  • Solvation effects in the electronic and optical response of molecules
Master topics:

We offer Master theses focused on the electronic and optical properties of molecular crystals and donor/acceptor complexes. Research methods are based on DFT and MBPT. These topics are fully integrated into our on-going projects in this research area. Collaborations with local and external experimental partner groups are envisioned. Exemplary topics are:

  • Electronic and optical properties of organic crystals and co-crystals

Area 3: Electronic structure of complex materials for renewable energy and electron sources

Bachelor topics:

We offer Bachelor theses investigating the electronic properties of complex materials for energy and electron sources. Materials of interest are alkali-based semiconductors and hybrid halide perovskites. Research methods are based on DFT and MBPT. These topics are fully integrated into our on-going projects in this research area. Collaborations with local and external experimental partner groups are envisioned. Exemplary topics are:

  • X-ray absorption spectra of caesium-based semiconductors
  • Energetics and stability of lead halide building blocks of hybrid perovskites
Master topics:

We offer Master theses investigating the electronic properties of complex materials for energy and electron sources by means of state-of-the-art first-principles methods. Materials of interest are alkali-based semiconductors and hybrid halide perovskites. Research methods are based on DFT and MBPT. These topics are fully integrated into our on-going projects in this research area. Collaborations with local and external experimental partner groups are envisioned. Exemplary topics are:

  • High-throughput screening of semiconducting photocathode materials
  • Electronic and optical properties of semiconducting photocathode materials
  • Electronic and optical properties of multi-alkali antimonides
  • First-principles simulation of semiconducting photocathode materials grown on a substrate
  • Optical absorption of lead halide building blocks of hybrid perovskites
  • X-ray spectroscopy of lead halide perovskites
  • Electronic and optical excitations in Bi- and Sb-based topological insulators

Area 4: Developments of (automated) ab initio methods for electronic structure theory

Bachelor topics:

We offer Bachelor theses supporting our activities on methodology and code development in the framework of RT-TDDFT and MBPT. These topics address analytical or numerical aspects of the problems or both. Exemplary topics are:

  • Effective substrate-induced interactions
  • Development and testing of automatized routines for data-mining
Master topics:

We offer Master theses aimed at methodology and code developments. These topics include both analytical aspects and numerical implementations within RT-TDDFT or MBPT. Exemplary topics are:

  • Ab initio modeling of photoemission in semiconducting photocathodes
  • Development of non-perturbative approaches for optical nonlinearities
  • Development and application of machine-learning based algorithms for high-throughput screening of material properties
(Changed: 2021-04-30)