New position
I am happy to announce that I started my junior research group in theoretical physics at the University Duisburg-Essen support by the NRW Return Fellowship.
Our paper on an iodine catalyzed intramolecular C-H amination of alkyl groups via amidyl radicals is accepted for publication with ACS Catalyis. Together with the organic chemistry group of Prof. Kilian Muniz in Tarragona we analyzed a proposed catalytic cycle with DFT calculations. The synthetic protocol is a considerable extension of the protocol we presented last year, because the terminal iodine(III) oxidant is now required only in catalytic amounts since it is reoxidized with mCPBA.
Many thanks to Prof. Kilian Muniz and his group for the great work and having us joining their efforts!
2021
2020
Some long overdue updates
I finally found some time to add the most recent publications, talks, posters and even some awards!
2019
Optimization of highly excited matrix product states
We present an implementation of shift-and-invert techniques and folded operators to target high-lying excited states expressed as matrix product states.
2018
autoCAS Version 1.0 released
We released the autoCAS program for the automated selection of active orbital spaces for multi-configurational calculations.
Paper on iodine catalyzed Hofmann-Loeffler reaction accepted for publication in ACS Catalysis
Our paper on an iodine catalyzed intramolecular C-H amination of alkyl groups via amidyl radicals is accepted for publication with ACS Catalysis.
Website is available
Starting today, my research website is available. It will contain occasional short reviews on fascinating publications by other researchers, information abou...