Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 12 of 12
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
Density Functional Theory: Study on the Mechanism of the Chloride-Induced Aufbau of Perchlorinated Cyclohexasilanes
Nano- and micrometer-scaled silicon structures are essential components not only in microelectronic but also in ...
Natural SciencesAnalytical Chemistry, Method Development (Chemistry)
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
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-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 
Theoretical Investigation of Electrocyclic Reactions of Siloles
Siloles are five-membered heterocyclic dienes, in which a silicon atom replaces one of the carbon atoms of ...
Natural SciencesAnalytical Chemistry, Method Development (Chemistry)
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 
Well-Defined Iron Catalysts for the Acceptorless Reversible Dehydrogenation-Hydrogenation of Alcohols and Ketones
The oxidation of alcohols to esters and the reverse reaction (reduction of esters to alcohols) is an important chemical ...
Natural SciencesAnalytical Chemistry, Method Development (Chemistry)
