The theoretical chemistry group at Karlsruhe Institute of Technology (KIT) is looking for two PhD 
students (m/f/d). The PhD positions are available in the research training group (RTG) 2450 
''Tailored Scale-Bridging Approaches to Computational Nanoscience'' within research project 
P2 ''degradation mechanisms in organic electronics'' and P3 ''multiscale modeling of chemical 
vapor deposition''. 

Job descriptions:

1) The scientific aim of project P2 is to understand and model degradation channels in 
   organic electronics such as bis-carbazole-biphenyl (CBP). This project focuses on the 
   excited states properties and relevant chemical reactions using ab-initio methods. The 
   research will be carried out in close collaboration with other groups with a focus on 
   QM/MM and kinetic Monte-Carlo (kMC) to obtain a multiscale description. 

2) The scientific aim of project P3 is a multiscale modelling of surface reactions. For this 
   purpose, high level ab initio methods, DFT and Molecular Dynamics and Monte Carlo will be 
   combined. The tasks of the doctoral researcher in P3 will be in the field of the quantum 
   chemical calculations.

Required skills
- M.Sc. degree in chemistry or physics with special interest in computational chemistry 
- Expertise in electronic structure methods
- Experience in using major quantum-chemical packages (Turbomole, Molpro, Vasp, etc.)
- Experience scripting in Linux/Unix environment for job automation and data analysis/workup

Salary
Payment is according to wage agreement of the civil service TV-L, 75% of E13 for PhD 
positions, provided the professional and personal requirements are met.

Organizational unit
Institute of Physical Chemistry (IPC) and Institute of Nanotechnology (INT), both at KIT

Starting date
As soon as possible, starting from August 1, 2022.

To apply, please submit the following documents:

- Cover letter indicating earliest starting date
- Curriculum vitae
- Copy of relevant certificates/diplomas
- Contact details of at least one reference

Applicants should submit their application documents via email to hoefener###kit.edu