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

 

the Neugebauer Research Group

- Quantum Chemistry @ WWU -

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 further develop these methods for molecular/spectroscopic properties.

Recent Research:

SERENITY: A Subsystem Quantum Chemistry Program:

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:

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2010
2010
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  • 2013
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  • 2022
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