Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 20 of 20
Insights Into Molecular Cluster Materials With Adamantane-Like Core Structure by Considering Dimer Interactions
A class of cluster materials with an adamantane-like core structure (AdR4 or [(RE)4T6]; R=organic structure; E=Si, Ge ...
Natural SciencesPhysical and Theoretical Chemistry
First-Principles Calculations of Spectroscopic Signatures I
Ideal one-dimensional (1D) electronic systems are fascinating, as they show quantisation of conductance, charge-density ...
Natural SciencesTheoretical Condensed Matter Physics
Ab Initio Calculations on the Intrinsic Spin Hall Effect
The field of spintronics recently gained much interest because it promises faster, smaller and less energy consuming ...
Natural SciencesTheoretical Condensed Matter Physics
Ab Initio Calculations of the Redox Chemistry in Alkali-Oxygen Batteries
Alkali metal-oxygen batteries have a particularly high energy density and therefore concepts for rechargeable batteries ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesMathematics
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
Ground- and Excited-State Properties of Substrate-Supported Nanowires Calculated From First Principles
Ideal one-dimensional electronic systems are characterized by unusual and fascinating physical phenomena, including ...
Natural SciencesTheoretical Condensed Matter Physics
Investigation of Vacancy Diffusion in Crystalline LIPON Compounds by Means of Density Functional Theory
Due to an ever-increasing energy demand worldwide, new and efficient energy storage systems are needed more and more ...
Natural SciencesPhysical and Theoretical Chemistry
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-
Pedestrian Detection Using Shearlets
One main application area of pedestrian detection is located in the automotive domain. The usage of collusion warning ...
Natural SciencesMathematics 
Ab-Initio Calculation of Fundamental Properties of Strained Heterostructures
Many opto-electronic devices, such as laser diodes, solar cells or semiconductor sensors, comprise of semiconductor ...
Natural SciencesTheoretical Condensed Matter PhysicsOptics, Quantum Optics and Physics of Atoms, Molecules and PlasmasEngineering SciencesMaterials Science
DFT Based Modeling of the Optical Properties of Dilute Bismides
For the modern communication and information technology semiconductors with improved optoelectronic properties are ...
Natural SciencesTheoretical Condensed Matter PhysicsOptics, Quantum Optics and Physics of Atoms, Molecules and PlasmasEngineering SciencesMaterials Science-
Image and Scene Search in Historical Collections of DDR Television Recordings in the German Broadcasting Archive (DRA) by Automatic Content-based Video Analysis
The rapidly increasing proliferation of digital images and videos leads to a situation where content-based search in ...
Humanities and Social SciencesSocial and Cultural Anthropology, Non-European Cultures, Jewish Studies and Religious Studies 
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
Management virtueller Maschinen in Linux High Performance Clustern
Traditionelle Linux High Performance Cluster (HPC) wie der Marburger Rechen-Cluster (MaRC2) basieren auf einem Verbund ...
Natural SciencesMathematicsEngineering SciencesComputer Science
Systembiologische Analysen mit dem Moos Physcomitrella patens
In Zeiten des „next-generation-sequencing“ sind komperative genomische Analysen nicht mehr auf eine geringe Anzahl an ...
Life SciencesBasic Research in Biology and Medicine
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
Von ungewöhnlichen Gold-Komplexen zu komplizierten Bandstrukturen
In unserem Arbeitskreis wurden folgende Projekte mit Hilfe des Rechenclusters MaRC2 durchgeführt. Aufgrund der enormen ...
Natural SciencesMolecular Chemistry
Improvement of Methods for the Comparison of Protein Binding Sites
The detection of structural similarities between protein binding sites is an important challenge in medicinal drug ...
Natural SciencesBiological Chemistry and Food Chemistry
