Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 33
Machine Learning Application in Automotive Catalysts
The computational resources of the Lichtenberg HPC were used in this project to train physics informed machine learning ...
Natural SciencesChemical Solid State and Surface Research
Molecular Dynamics Simulation of Fe-based Magnetocaloric Materials
Magnetocaloric materials are of interest for magnetic refrigeration of microfluidic reactors, electronic chips or other ...
Engineering SciencesMaterials Engineering
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
Atmospheric Dynamics
Atmospheric gravity waves (GWs) are rather short in wavelength (1km – 100km in the horizontal, 100m – 10km in the ...
Natural SciencesAtmospheric Science, Oceanography and Climate 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
High Resolution Coupled Climate Simulations Over Europe and the Mediterranean
The Mediterranean area will probably experience a strong impact of climate change. Due to the diverse topography of the ...
Natural SciencesAtmospheric Science, Oceanography and Climate 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
Investigation of the Cell Size Effect of CeO2 on the Calculated Raman Spectra of VOx/CeO2 Catalysts
Ceria (CeO2) is an important support material for transition metal based oxides like vanadia (VOx). These VOx/CeO2 catal ...
Natural SciencesChemical Solid State and Surface Research
Metal/Organic Interfaces Studied with Density Functional Theory
Metal/organic interfaces are found in several technologies that are key to developing modern electronic devices ...
Natural SciencesChemical Solid State and Surface Research
Convective Hazards in Hesse and Rhineland-Palatinate
Atmospheric deep convection, commonly known as thunderstorms in its most severe form, poses a severe threat to human ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research
Simulation von Kohlenstoffnanoröhrchen
Kohlenstoffnanoröhren (englisch: carbon nanotubes, CNTs) besitzen eine Vielzahl interessanter mechanischer Eigenschaften ...
Engineering SciencesMaterials Engineering
A Generic 3D-Diverse Fragment Library for Crystallographic Screening and Drug Discovery
Ligand binding pockets differ regarding their shape and arrangement of potential interaction sites. Thus, we design a ...
Natural SciencesChemical Solid State and Surface Research
Development and Implementation of New Methods for Crystal Structure Determination from Powder Diffraction Data
A new method for the determination of organic crystal structures from powder diffraction data has been developed. The ...
Natural SciencesChemical Solid State and Surface Research
Dichtefunktionaltheoretische Berechnungen von Vibrationsspektren oberflächen-aktiver Moleküle
Eines der Hauptarbeitsgebiete unserer Gruppe ist die gezielte Modifikation von Oberflächen. Zu diesem Zweck setzen wir ...
Natural SciencesChemical Solid State and Surface Research
Freshwater Species Distribution Models
Studies applying species distribution models (SDMs) have multiplied exponentially over the last years, however only few ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research
Gravity-Wave Breaking
The explicit examination of the smallest scales of atmosphere and ocean dynamics is the subject of research on the ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research-
Inverse Modellierung zur Verbesserung von Wettervorhersagen und Klimaprojektionen
Verlässliche Vorhersagen werden benötigt, um bessere Entscheidungen für zukünftiges Handeln treffen zu können. Ein ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research 
MnAs Nanocluster
Das Hauptaugenmerk unseres Forschungsprojektes ist die Simulation des Wachstums von Gold Atomen (Au) auf eine ...
Natural SciencesChemical Solid State and Surface ResearchOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Modellierung des elektrokalorischen Effekts in bleifreien Relaxor-Ferroelektrika
Natrium Bismut Titanat (NBT) gehört zu der Gruppe der dielektrische Materialien (auch Isolatoren genannt). Dielektrika ...
Engineering SciencesMaterials Engineering-
Modelling Ecosystems, Biosphere-Atmosphere Interactions and Environmental Change with LPJ-GUESS
LPJ-GUESS [1] is a dynamic vegetation model (DVM) optimised for regional to global applications. It simulates many ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research 
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 
Properties and Climate Sensitivity of Convective Activity in Convective Permitting Models
Severe convective events have a large impact on our society due to their potential for producing high precipitation ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research
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
The Impact of Marginal Seas on the Regional Climate
The climate system is an interactive system which contains different components such as the atmosphere, the hydrosphere ...
Natural SciencesAtmospheric Science, Oceanography and Climate ResearchGeography
Tunning the Magnetic Interaction Between Small Clusters on Metallic Surfaces by Means of Electric Fields
Small particles of magnetic transition metals open multiple perspectives of technological developments in storage media ...
Natural SciencesChemical Solid State and Surface ResearchOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
Turbulence in Rotating Shear Flows
Shear flows occur frequently in everyday life and arise whenever a fluid (gas or liquid) moves over a solid surface or ...
Natural SciencesChemical Solid State and Surface ResearchEngineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
