Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Displaying 1 - 7 of 7
Computational Stability Investigations on High Entropy Oxides for Oxygen Evolution Electro-Catalysis
High-entropy alloys (HEAs) materials are well-defined by their formation of at least five or more principal elements in ...
Natural SciencesPhysical and Theoretical Chemistry
Defect chemistry and Band structure of NBT-xBT
Sodium bismuth titanate-barium titanate (Na0.5Bi0.5TiO3-BaTiO3, abbreviated as NBT- BT) with high Curie temperature and ...
Natural SciencesChemical Solid State and Surface Research
Fermi Level Engineering of Doped Perovskites: From the Dilute Limit to Phase Formation
Mixed ionic–electronic conductors (MIECs) can transport both ions and electronic charge carriers, making them key ...
Natural SciencesTheoretical Condensed Matter Physics-
First-Principles Calculations of Spectroscopic Signatures III
Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...
Natural SciencesTheoretical Condensed Matter Physics -
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 
High-Fidelity Calculations of Charge Transition Levels and Formation Energies of Point Defects in Strontium and Barium Titanate
Electroceramic materials are integral to modern technology, with applications ranging from capacitors and temperature ...
Natural SciencesTheoretical Condensed Matter Physics-
High-Throughput Screening of 2D Hybrid Organic-Inorganic Perovskites (HOIPs)
To meet the ever-growing global energy demand, researchers are continuously exploring new materials. Perovskites ...
Natural SciencesTheoretical Condensed Matter Physics
