Projekte
Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
Projekte
Kategorie
Jahr
Software
Universität
Cluster
Projekte
Displaying 1 - 22 of 22
Application of a Hybrid Filtered Eulerian Stochastic Field/Flamelet Progress Variable Method on a Non-Premixed Oxy-Flame Cases Using OpenFOAM Code
Nowadays the fuels combustion still sustain most of the energy needs and its productions. Different studies have been ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
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 -
Functionalization of Hydrocarbons Trough Novel HAT-Agents
Alkanes are attractive feedstock chemicals due to their natural occurrence and they offer access to a wide variety of ...
NaturwissenschaftenMolekülchemie -
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 
Lagrangian / Eulerian Interface Approximation (LEIA)
Accurate and efficient tracking of sharp interfaces that separate fluids that do not mix or fluids and solids is a ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik-
Large Eddy Simulations of Turbulent Combustion Basing on the Eulerian Stochastic Field Method Coupled to Flamelet Progress Variable Approach Using OpenFOAM Code
The present trend in energy consumption shows ever increasing energy demand to servemultitude of reasons such as ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik 
Metal-Free Dimerization of Terminal Alkynes Catalyzed by a Pyridonate Borane Complex
We have recently reported the synthesis of a pyridonate borane complex that reversibly activates dihydrogen under mild ...
NaturwissenschaftenMolekülchemie-
NIR Excitation and Tunneling of Dihydroxycarbene
While quantum-mechanical tunneling (QMT) was recognized early in the emerging field of quantum theory as an accelerating ...
NaturwissenschaftenMolekülchemie 
Numerical Simulation and Analysis of Wetting Phenomena in Inkjet Printing
Droplet impingement and spreading are of particular relevance for various technical applications, including inkjet ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Simulation and Analysis of Wetting Phenomena in Inkjet Printing
Droplet impingement and spreading are of particular relevance for various technical applications, including inkjet ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik-
Selective Organic Reactions Enabled by Isotope-Controlled Tunneling Reactivity
A large kinetic isotope effect (KIE) is one of the criteria that indicates quantum mechanical tunneling in a chemical ...
NaturwissenschaftenMolekülchemie 
Stability of Droplets on Chemically Patterned Surfaces
We study the stability and the breakup dynamics of mm-size water droplets on chemically patterned solid surfaces ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Synthesis and Conformational Analysis of Parent Perhydroazulenes
Perhydroazulenes are common structural motifs in a variety of terpene natural products. Despite of their structural ...
NaturwissenschaftenMolekülchemie-
The Role of Dispersion in Catalysis
London dispersion (LD) interactions constitute the attractive part of the van-der-Waals potential and they have been ...
NaturwissenschaftenMolekülchemie -
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 -
Viscoelastic Flow Simulations
The “High Weissenberg Number Problem’’ (HWNP) has been a major challenge in computational rheology for the past four ...
NaturwissenschaftenMathematik
