Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 29 of 29
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
Multiscale Modelling of Cement-Based Materials III
The project seeks to create a comprehensive model linking nanoscale phenomena to larger-scale behaviors to better ...
Engineering SciencesConstruction Engineering and Architecture
Parametric Study on Determination of Load-Bearing Capacity of Dry-stacked Masonry Wall under Cyclic Loading
In the research area of circular building design, design concepts for sustainable masonry are being implemented using ...
Engineering SciencesConstruction Engineering and Architecture
Multiscale Modelling of Cement-Based Materials II
The project aims to develop a bridging model that connects the nanoscale to the upscaled levels for understanding the ...
Engineering SciencesConstruction Engineering and Architecture
Reliability of Statically Indeterminate Concrete Beams With GFRP Reinforcement
Structural engineering, particularly concrete systems, has long focused on understanding the distribution of internal ...
Engineering SciencesConstruction Engineering and Architecture
Multiscale Modelling of Cement-Based Materials
Overall objective of this project is to develop an elementary physical/chemical bridging model for the chemical reaction ...
Engineering SciencesConstruction Engineering and Architecture
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
Multiscale Modelling of Transport and Degradation Phenomena in Cement-based Materials
This project aims to investigate the autogenous self-healing process of small cracks in concrete using the phase-field ...
Engineering SciencesConstruction Engineering and Architecture
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
Computational Analysis of GPCR Biased Signaling
G protein-coupled receptors (GPCRs) constitute a large family of membrane proteins which share a conserved structural ...
Life SciencesMedicine
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
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-
Numerical Simulation of Physiological Pulsuating Flows in Aneurysm Models
In the present investigation, the Lichtenberg supercomputer was used for the numerical simulation of steady and ...
Life SciencesMedicineNatural SciencesNumerical Mathematics and OptimizationEngineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics 
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-
Elektronendosimetrie in der Strahlentherapie
Eine erfolgreiche Strahlentherapie mit hochenergetischer Photonen- oder Teilchenstrahlung impliziert eine möglichst ...
Life SciencesBasic Research in Biology and MedicineMedicineNeurosciences 
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
Monte Carlo Simulation of the Neutron Radiation Field around a Medical 18 MV Linac
Today the majority of cancer radiation therapy treatments are performed at medical electron linear accelerators (linacs) ...
Life SciencesMedicine-
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 -
Photonendosimetrie in der Strahlentherapie
In den vergangenen Jahren wurde durch die Entwicklung neuer Techniken in der Strahlentherapie ein enormer Fortschritt ...
Life SciencesMedicine -
The Simulation of Fluids for Psychophysical Studies
Most research on visual recognition focuses on objects, which are defined primarily by their shape. By contrast, fluids ...
Life SciencesMedicine 
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
Turbulenzübergang in der Kanalströmung
Viele Strömungen zeigen Turbulenz, obwohl ihr laminares Profil stabil ist. Zum Beispiel die Kanalströmung, deren ...
Natural SciencesChemical Solid State and Surface ResearchEngineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Untersuchung der Fehlordnungen in organischen Molekülkristallen
Als Standardverfahren zur Strukturbestimmung von Kristallen dient in erster Linie die Röntgenbeugung an Einkristallen ...
Natural SciencesChemical Solid State and Surface Research 
Orbital-Dependent Exchange-Correlation Energy Functionals
In this phase of the project the exact exchange (EXX) of density functional theory was applied to both free-standing ...
Natural SciencesChemical Solid State and Surface ResearchPhysical and Theoretical Chemistry
