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.
Recent Posts
Some long overdue updates
I finally found some time to add the most recent publications, talks, posters and even some awards!
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.
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.