Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 5 of 5
Electron/Hole Small Polarons in PbTiO3, BaTiO3 and NaNbO3
In this project the stability of small and bound polarons as a possible charge-compensation mechanism in the perovskite ...
Engineering SciencesMaterials Science-
GPU-accelerated High-Throughput Screening and Multimodal Machine Learning Modeling of Spin Dynamics Derived Spectroscopy Properties of Fe/Mn
Nuclear magnetic resonance and electron paramagnetic resonance spectroscopies are essential experimental techniques for ...
Natural SciencesTheoretical Condensed Matter Physics 
Structure Optimization, Dielectric and Magnetic Properties of Pure Silicon as well as Iron-Doped Silicon and Tin Clusters
The previous investigation of SnN clusters with N = 6−40 showed that below a clusters size of about 30 atoms, a prolate ...
Natural SciencesPhysical and Theoretical Chemistry-
High-Throughput Discovery of Mab and Mbene Superconductors
We survey the landscape of MAB and Mbene superconductors out of our previous high-throughput predictions using first ...
Natural SciencesTheoretical Condensed Matter Physics 
Optical Spectroscopy, Dielectric Properties and Structure Discrimination of SnN (20 ≤ N ≤ 40)
The previous investigation of neutral SnN clusters with N = 6 - 20 showed that for clusters with N ≤ 15 prolate ...
Natural SciencesPhysical and Theoretical Chemistry
