Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 10 of 10
Elucidating the CO2 Activation in the Context of the Reverse Water Gas Shift Reaction
The aim of the last project was to understand the CO2 activation over Au and Cu loaded ceria and bare indium oxide. In ...
Natural SciencesChemical Solid State and Surface Research
Calculating Photoelectron Binding Energies on Organic Molecules to Assist Photoemission Spectra Interpretation
The photoelectron spectroscopy data of organic molecules, in our case organic semiconductors, are mainly dominated by ...
Natural SciencesChemical Solid State and Surface Research
Calculations of Vibrational Spectra for Different Facets of Ceria Using Density Functional Theory (DFT)
Ceria is an important support material for precious metals to catalyze oxidation reactions such as CO oxidation or the ...
Natural SciencesChemical Solid State and Surface Research
Effect of Strain on Transport Properties in Solid Electrolytes
Solid electrolytes (SE) in all-solid-state batteries due to their high safety and flexibility in design have attracted ...
Natural SciencesChemical Solid State and Surface Research
Interface Phenomena in Battery Materials and Exchange Spring Magnets
The project focused on interface phenomena in battery materials and exchange spring magnets but also studied the ...
Engineering SciencesMaterials EngineeringMaterials Science
Simulation von Kohlenstoffnanoröhrchen
Kohlenstoffnanoröhren (englisch: carbon nanotubes, CNTs) besitzen eine Vielzahl interessanter mechanischer Eigenschaften ...
Engineering SciencesMaterials Engineering
Modelling of Extended Defects in CIGS Based Solar Cells
Chalcopyrite Cu(In,Ga)Se2 (CIGSe) are one of the most succesful materials used as absorber layer in thin-film solar ...
Engineering SciencesMaterials Engineering
Molecular Dynamics Simulations of Nanoglasses
Metallic glasses (MGs) are of great technological interest because of their high strength and hardness [1]. However ...
Engineering SciencesMaterials Engineering
Monte-Carlo-Simulationen der elektronischen Eigenschaften von Graphen
Das Projekt befasst sich mit der ab-initio Simulation der elektronischen Eigenschaften von Graphen (einem ...
Natural SciencesChemical Solid State and Surface ResearchOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Structure and Properties of Amorphous LiPON Electrolyte by First-Principles Simulations
Amorphous materials belonging to the family of Lithium Phosphorus Oxynitrides (LiPON) are increasingly popular solid ...
Engineering SciencesMaterials Engineering
