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Prof. Dr. Caterina Cocchi

 

We offer Bachelor and Master theses covering all our research areas. Knowledge of quantum mechanics is the only pre-requisite 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 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
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
We4ubmasterzb4xh (webb3bsehwso5rvi16bzkcesb.physik@uol.dekkop) (Changed: 2020-04-13)