Hättig Group

Understanding the solvatochromism and photoacidity of pyranine derivatives with quantum chemical calculations

About the group:

The Quantum Chemistry (Haettig) Group is active both in applying computational chemistry methods to chemical problems as well as in the development of improved methods and programs. Applications are mostly concerned with solvation effects on electronic spectra (UV-vis, fluorescence, phosphorescence, CD, MCD, and others) and chemical reaction mechanisms e.g. for combustion or heterogeneous catalysis. On the method and code development side, the group is one of the main contributors to the TURBOMOLE program packgae and internationally known for development of a efficient implementation of the approximate coupled-cluster method CC2 for modelling electronic spectroscopies.

What they are looking for in students:

- basic knowledge of quantum mechanics
- good background in MO theory
- should have some experience with electronic structure programs (e.g. DFT)
- should be able to work on computers with the Linux operator system

Visit the website!

Paper related to the topic

HOW To Apply

Apply here

For your application you will need:

  • CV with contact details and affiliation (max. 2 pages)
  • letter of motivation related to Solvation Science (1 page)
  • your research proposal (1 page)
  • your diploma (Bachelor or Master)

Prerequisites: Current Master and PhD students with expiriences in Natural Sciences, Medical Sciences or related topics of Engineering

Start: 09th October 2023

Deadline: 01st June 2024



Win A research Stay

Subject: conduct your research proposal
Duration: 3 months
Location: Bochum, Germany and local Ruhr RESOLV partner institutions
Language of instruction: English
Costs: RESOLV sponsors travel and a monthly stipend
Period research stay: before August 2025