Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 31 - 46 of 46
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry
Performance Modeling at a Discount
Identifying scalability bugs in parallel applications is a vital but also laborious and expensive task. Empirical ...
Engineering SciencesComputer Science
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 ...
Natural SciencesMolecular Chemistry-
Development and Application of Numerical Methods for the Simulation of Technical Premixed Combustion Systems
The accurate prediction of combustion processes requires to compute the flow, the concentration, and the chemical ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics 
Global Optimization of Aluminum-doped Tin Clusters
Semiconductors are the fundament of modern technology and as such still a topic of current research. With decrease in ...
Natural SciencesPhysical and Theoretical Chemistry
Investigations of the Flame Dynamics of a Side Wall Quenching Flame
Since nearly 86% of the world wide energy demand is obtained through combustion, it is necessary to improve related ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
LES of Coal Combustion in the Context of FGM Tabulated Chemistry
The objective to reduce the emission of the greenhouse gas CO2 has a high priority in today’s energy supply. However, in ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics 
London Dispersion Forces in Structure and Reactivity
London dispersion forces help explaining unexpected attractive interactions of organic material. During the last century ...
Natural SciencesMolecular Chemistry
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
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 ...
Natural SciencesMolecular 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 
Toward a Better Understanding of Dispersion Interactions in Organic Reactions
London Dispersion (LD)[1-3] interactions are noncovalent interactions that hold together nonpolar or weakly polar ...
Natural SciencesMolecular Chemistry
Analyzing, Comparing and Evaluating Non-Stationary Methods for Oxy-Fuel Configurations
The separation of CO2 in oxy-coal combustions is facilitated through firing coal in oxygen (O2) enriched recirculated ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
ExaFSA - Exascale Simulation of Fluid-Structure-Acoustics Interactions
The ExaFSA project aims to combine the two dominant trends in engineering simulations: multiphysics and high-performance ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Simulation of Flow-Induced Noise and Vibration for Turbulent Flows
The turbulent flow around blunt bodies induces aeroacoustic sources due to the interaction of the fluid with geometrical ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Control of London Dispersion Forces in molecular chemistry
Introduction: Since attractive forces in molecular chemistry are often neglected in molecular chemistry we want to ...
Natural SciencesMolecular Chemistry
