Welcome to the web pages of the Neugebauer group!
© Dirk Leifert

 

the Neugebauer Research Group

- Quantum Chemistry @ University of Münster -

We develop and apply smart quantum chemical methods for selective and efficient calculations on chemical processes in complex environments like solvents, proteins, molecular crystals, or surfaces. We work on subsystem-based Density-Functional Theory and density-based (QM/QM) embedding for ground and excited electronic states, and develop these methods for molecular/spectroscopic properties.

Recent Research:

The Subsystem Quantum Chemistry Program SERENITY:

Subsystem TDDFT and Beyond:

Theoretical On-Surface Chemistry:

Methods for/Studies on Radicals and Radical Crystals:

 

 

The Neugebauer Group supports the following research centers/initiatives:

Photos

2010
2010
© privat
  • © privat
  • 2012
    © privat
  • 2013
    © Linus Scholz
  • 2014
    © Linus Schulz
  • 2015
    © privat
  • 2016
    © Linus Scholz
  • 2017
    © Linus Scholz
  • 2018
    © Linus Scholz
  • 2019
    © Linus Scholz
  • 2020
    © Guido Blanqué
  • 2021
    © Guido Blanqué
  • 2022
    © Linus Scholz
  • 2023
    © Martin Korth
  • 2024
    © Dirk Leifert