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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Numerical Methods for the Model of Spatial Random Permutations and a Connection to Schramm-Loewner Evolution II
We made several numerical calculations regarding the model of Spatial Random Permutations (SRP). This is a model in ...
NaturwissenschaftenMathematik
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Numerical Methods for the Model of Spatial Random Permutations and a Connection to Schramm-Loewner Evolution I
We made several numerical calculations regarding the model of Spatial Random Permutations (SRP). This is a model in ...
NaturwissenschaftenMathematik
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
DNS of Viscoelastic Fluids
Recent numerical stabilization approaches provide new opportunities for viscoelastic flow simulations. The numerical ...
NaturwissenschaftenMathematik
Adaptive Numerical Wavelet Frame Methods for Elliptic and Parabolic Operator Equations, Inverse Problems, and Stochastic Evolution Equations
Many real-world phenomena are modelled by partial differential equations. Even in relatively low dimensions, the ...
NaturwissenschaftenMathematik-
Comparing Importance of Webgraph Nodes via Random Walks
We planned to test a method for ranking nodes in a network (for example web pages in the internet) that is an ...
NaturwissenschaftenMathematik 
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Metal/Organic Interfaces Studied with Density Functional Theory
Metal/organic interfaces are found in several technologies that are key to developing modern electronic devices ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung-
Pedestrian Detection Using Shearlets
One main application area of pedestrian detection is located in the automotive domain. The usage of collusion warning ...
NaturwissenschaftenMathematik -
Viscoelastic Flow Simulations
The “High Weissenberg Number Problem’’ (HWNP) has been a major challenge in computational rheology for the past four ...
NaturwissenschaftenMathematik 
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung-
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 ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung 
Dichtefunktionaltheoretische Berechnungen von Vibrationsspektren oberflächen-aktiver Moleküle
Eines der Hauptarbeitsgebiete unserer Gruppe ist die gezielte Modifikation von Oberflächen. Zu diesem Zweck setzen wir ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung-
Die Whitehead‘sche Asphärizitätsvermutung
Ein 2-Komplex K heißt asphärisch, wenn jede stetige Abbildung einer 2-Sphäre S nach K homotopieäquivalent zur der ...
NaturwissenschaftenMathematik -
Global Water Resources in a Global World
To achieve a sustainable development of the planet Earth, water resources need to be managed well. This requires an ...
NaturwissenschaftenGeologie und Paläontologie 
Management virtueller Maschinen in Linux High Performance Clustern
Traditionelle Linux High Performance Cluster (HPC) wie der Marburger Rechen-Cluster (MaRC2) basieren auf einem Verbund ...
NaturwissenschaftenMathematikIngenieurwissenschaftenInformatik
MnAs Nanocluster
Das Hauptaugenmerk unseres Forschungsprojektes ist die Simulation des Wachstums von Gold Atomen (Au) auf eine ...
NaturwissenschaftenChemische Festkörper- und OberflächenforschungOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
Modeling and Numerical Simulation of Species Transfer in Bubbly Flows Using OpenFOAM
The aim of our study is the deduction of an improved interfacial species transfer closure to be further used in bubble ...
NaturwissenschaftenMathematik-
Monte-Carlo-Simulationen der elektronischen Eigenschaften von Graphen
Das Projekt befasst sich mit der ab-initio Simulation der elektronischen Eigenschaften von Graphen (einem ...
NaturwissenschaftenChemische Festkörper- und OberflächenforschungOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen 
Numerical Methods for Viscoelastic Single- and Multiphase Flows
The „High Weissenberg Number Problem“ (HWNP) has been a major challenge in computational rheology. It refers to the loss ...
NaturwissenschaftenMathematik
Numerical Study of Binary Droplet Collisions at High Weber Numbers
When two droplets collide with each other, there are some interesting phenomena to be observed: the droplets can bounce ...
NaturwissenschaftenMathematik
Preference Based Reinforcement Learning
Reinforcement Learning [1] is a common approach for solving sequential decision problems. The basic idea is to view a ...
NaturwissenschaftenMathematikIngenieurwissenschaftenInformatik
Thermocapillary Droplet Actuation on a Wall
MMultiphase flows are present in many applications of industrial relevance. In addition, they are mostly accompanied by ...
NaturwissenschaftenMathematik
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 ...
NaturwissenschaftenChemische Festkörper- und OberflächenforschungOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
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 ...
NaturwissenschaftenChemische Festkörper- und OberflächenforschungIngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Turbulenzübergang in der Kanalströmung
Viele Strömungen zeigen Turbulenz, obwohl ihr laminares Profil stabil ist. Zum Beispiel die Kanalströmung, deren ...
NaturwissenschaftenChemische Festkörper- und OberflächenforschungIngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
