Welcome to the web pages of the Neugebauer group!
© Linus Scholz

the Neugebauer Research Group

- Theoretical Chemistry @ WWU -

Research in the Neugebauer group concentrates on the development and application of smart methods in Quantum Chemistry, which enable selective and efficient calculations for chemistry in complex environments like solvents, proteins, or on surfaces. In particular, we work on Subsystem-Based Density-Functional Theory strategies and Density-Based Embedding for ground and excited electronic states as well as for molecular properties.

Recent Research:

Subsystem DFT and Density-Based Embedding:

Subsystem TDDFT:

Methods for/Studies on Radicals and Radical Crystals:

The Neugebauer Group is involved in the following research centers/initiatives:

CMTC: Center for Multiscale Theory and Computation

SFB 858: Synergistic Effects in Chemistry

IRTG 2027 Münster-Toronto: New Trends in Molecular Activation and Catalysis

SoN: Center for Soft Nanoscience


2010 Leiden
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  • 2012 Braunschweig
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  • 2012 Münster
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  • 2013
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  • 2014
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  • 2015
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  • 2016
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  • 2017
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  • 2018
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  • © Linus Scholz