Our work highlighted in Trendberichte Theoretische Chemie

I am happy to announce that we could contribute an article on the importance of molecular vibrations in calculated thermodynamic properties to the latest issue of “Nachrichten aus der Chemie” in the section “Trendberichte”.

In our contribution, we discuss the importance of reliable vibrational data for these calculations and present the progress that machine-learning models have made in predicting more reliable vibrational data beyond the harmonic approximation.