103 citations · 135 across the 3 of their papers we have counts for
3 papers
Research Knowledge Graphs in NFDI4DataScience: Key Activities, Achievements, and Future Directions
Kanishka Silva, Marcel R. Ackermann, Heike Fliegl +10
As research in Artificial Intelligence and Data Science continues to grow in volume and complexity, it becomes increasingly difficult to ensure transparency, reproducibility, and d…
Spatial contributions to nuclear magnetic shieldings
Rahul Kumar Jinger, Heike Fliegl, Radovan Bast +3
We develop a methodology for calculating, analyzing and visualizing nuclear magnetic shielding densities, which are calculated from the current density via the Biot-Savart relation…
Benchmarking magnetizabilities with recent density functionals
Susi Lehtola, Maria Dimitrova, Heike Fliegl +1
We have assessed the accuracy for magnetic properties of a set of 51 density functional approximations, including both recently published as well as already established functionals…