Projekte
Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
Projekte
Kategorie
Jahr
Software
Universität
Cluster
Projekte
Displaying 1 - 21 of 21
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie
Asymmetric, Lewis-Acid Catalysed, Diels-Alder Reactions of Phthalazine
Novel methods to access complex molecular structures open new avenues for applications in medicalas well as material ...
NaturwissenschaftenMolekülchemie
Bidentate Lewis-Acid Catalysed Diels-Alder Reactions
Novel methods to access complex molecular structures open new avenues for applications in medical as well as material ...
NaturwissenschaftenMolekülchemie-
Computational Modeling of Photoswitches and Diels-Alder Reactions
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie -
Design and Synthesis of Arylphosphinidenes and Phosphirenes
It is well-known that the irradiation of aromatic azides, including phenyl azide, in solution and at cryogenic ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie -
Gas-Phase Sugar Formation Using Hydroxymethylene as the Reactive Formaldehyde Isomer
Carbohydrates “(CH2O)n” or sugars are the formal adducts of carbon (atoms) to water with a repeating unit that ...
NaturwissenschaftenMolekülchemie -
In Silico Design and Synthesis of Novel, Metal-Free Systems for Bond Activation and Catalysis
Our research focuses on the activation of stable bonds/small molecules. This is traditionally accomplished by transition ...
NaturwissenschaftenMolekülchemie 
Intermolecular London Dispersion Interactions of Azobenzene Switches
Azobenzenes (AB) are promising candidates for molecular solar thermal energy storage (MOST) systems. After synthesizing ...
NaturwissenschaftenMolekülchemie-
Investigating of New Supramolecular Complexes
Curved aromatic molecules are unique compounds as they combine special properties due to the delocalized π-system, with ...
NaturwissenschaftenMolekülchemie -
Investigating the Switching Dynamics of an Ammonium-tagged Azobenzene in the Gas Phase and in Polar Solvents
Our investigation aimed at determining the photo-physical properties of an ammonium tagged azobenzene 1 in comparison to ...
NaturwissenschaftenMolekülchemie 
Matrix Isolation of Sulfur Containing Reactive Intermediates
Sulfur-containing compounds present in the earth’s atmosphere impact cloud formation and thus our climate. The main ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry-
Stabilization by Dispersion Donors in the Z Isomer of Non-Symmetric Azobenzene
The determination of the strength of London dispersion interactions between polarizable groups is connected with some ...
Natural SciencesMolecular Chemistry -
Tunnex: An Easy to Use Program to Compute Tunneling Rates
The behavior of small quantized particles to overcome potential energy barriers despite a lack of sufficient energy must ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie 
Centrality Dependence of the Direct Photon Emission
In our work,[1] the photons produced by partonic interactions in the quark-gluon plasma phase was found to have small ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen-
Control of London Dispersion Forces in molecular chemistry
Introduction: Since attractive forces in molecular chemistry are often neglected in molecular chemistry we want to ...
NaturwissenschaftenMolekülchemie 
Direct Photons from Partonic and Hadronic Sources
Our ultimate goal is to understand the dynamical properties of the partonic phase with quarks, antiquarks and gluons as ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
Influence of Magnetic Material on Tunnel Magnetoresistance and Spin-Transfer Torque in MgO-based Tunnel Junctions
Some Heusler alloys, for example intermetallic compounds of the stoichiometric composition X2YZ with L21 structure,[1] ...
NaturwissenschaftenPhysikalische und Theoretische ChemieOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen
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-
Reaktive Intermediate - Dispersion
Durch die Entwicklung einer neuen Methode zur Darstellung von Kohlensäure in der Gasphase mittels Esterpyrolyse konnte ...
NaturwissenschaftenMolekülchemie -
RITSAT
Das „Radiofrequenz Ionentriebwerk“ (RIT) gehört zu der Klasse der elektrischen Triebwerke. Bei dieser Klasse wird ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen 
Design and Synthesis of Phosphinidene Chalcogenides
Phosphinidene chalcogenides (R–P=E; Ch = O, S, Se) are phosphorus analogues of organic nitroso compounds (R–N=O). In ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie
