Based on a cooperation agreement with the China's Scholarship Council (CSC), the University of Bologna (Italy) offers fully funded PhD scholarships to Chinese graduates to carry out their PhD in Bologna.

Within this program, applications are invited for the following research topics:

1.      Modelling charge and exciton transport properties in organic functional materials.
2.      Modelling doping processes in pi-electron conjugated polymers.
3.      Modelling ground and excited state properties of conjugated, diradical and multiradical organic compounds.
4.      Modelling exciton states in molecular aggregates for singlet-fission or advanced luminescent materials.

The aim is to investigate the opto-electronics properties of organic semiconductors, radicals and multiracial conjugated molecules as potential candidates for organic field effect transistors (OFET), solar cells (OSC), thermoelectric (OTEM), near infrared photodetectors, light emitting diodes (OLED), spintronic devices and rechargeable energy storage systems.

The modelling activity would be performed by combing a variety of quantum-chemical methods, encompassing density functional theory, wavefunction-based methods, and semiempirical (e.g., extended tight binding DFT) approaches, coupled with molecular dynamics and kinetic Monte Carlo simulations.

Collaborations with theoretical and experimental research groups over Italy, Spain and Germany will be promoted and be part of the projects.

Candidates’ profile
We are seeking for candidates with a background in chemistry, computational/theoretical chemistry, materials science or solid state physics. Knowledge of common quantum-chemical codes (Gaussian, NWChem, Orca, CRYSTAL17, etc.) and coding (e.g., fortran, python, C++) is a plus.

Eligible candidates will apply for a 36 months PhD scholarship funded by the China Scholarship Council (CSC) at the University of Bologna, Department of Chemistry “Giacomo Ciamician” (Italy).

For details about the CSC call, the application procedure and the recruitment requirements please refer to the following link:
https://www.unibo.it/en/teaching/phd/information-enrolling-phd-programme/phd-programmes-in-collaboration-with-china-scholarship-council

The deadline for the proposal submission and pre-selection is January 14th, 2022.

For more details about the PhD projects, you are welcome to contact directly Prof. Fabrizia Negri ([email protected]) or Dr. Daniele Fazzi ([email protected]).

We are a multi-disciplinary team with broad expertise within the whole range of quantum-chemical  methods, with focus on modelling charge transport and excited states processes in organic semiconductors. Information about our main research areas, computational approaches and a list of publications can be found here: https://site.unibo.it/modeling-functional-molecular-materials/en