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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Displaying 1 - 30 of 102
Controlling the Aggregation of Phosphorescent alkynyl-Pt-NHC Complexes via Silyl-DED Substitution
Non-covalent interactions (NCIs) not only govern the structure biomacromolecules such as proteins and DNA, but often ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Numerical Simulation of Nucleate Boiling in Microgravity
Nucleate boiling is a very efficient heat transfer mechanism. It is used in a wide variety of applications on Earth ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Practical Empirical Performance Modeling for CFD Applications using Extra-P
HPC applications can contain implicit performance bottlenecks, for example, due to caching or synchronization effects ...
IngenieurwissenschaftenInformatik-
Practical Empirical Performance Modeling for CFD Applications using Extra-P
HPC applications can contain implicit performance bottlenecks, for example, due to caching or synchronization effects ...
Engineering SciencesComputer Science 
Calculating Reaction Energy Barrier of HCN Formation From CH2O With CuSSZ13 Zeolite Catalyst
Biomass-derived fuels are promising candidates to replace traditional fossil-based fuels for mobility and propulsion but ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie
Computational Modelling of Plasma-Actuated Flow Control by Means of Eddy-Resolving Turbulence Models
Plasma actuators, Figure 1, represent flow control devices that have no moving parts and that work by ionizing the air ...
Engineering Sciences
Computational Study of Transient Indoor Airflow with an Eddy Resolving Turbulence Model
This project’s main objective is the numerical analysis of mechanically ventilated rooms in different scenarios under ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Design and Analysis of Efficient Hydrogen Burners for 3D Printing
Green hydrogen has been identified as an important energy carrier for the future energy economy. However, due to the ...
Engineering Sciences
Direct Numerical Simulations of Mesopore Imbibition Using a Phase-Field Approach
Mesoporous materials, which have pore sizes in the range of 10-200 nanometers, have attracted significant attention due ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Efficient Integration of Physically Enhanced Neural Networks in Particle-Resolved CFD Simulations of Industrial Packed-Bed Reactors
The investigation of novel or optimizing established processes is of paramount importance in chemical engineering in the ...
Engineering SciencesProcess Engineering, Technical Chemistry
exaFOAM Performance Analysis and Modeling
The exaFOAM project [1] aims at overcoming the current limitations of Computational Fluid Dynamics (CFD) technology ...
IngenieurwissenschaftenInformatik
Investigation of Photochemical Pathways to Metal-Nitrene Compounds From Azide Precursors II
Azides are omnipresent in organic and inorganic chemical synthesis. They are readily introduced into molecules and allow ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Multi-Model Multi-Phase Cause-Effect Chain Simulation in Direct Injection Engines
Internal combustion engines are vital to the modern transportation sector, and ongoing research is essential to optimize ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Investigation of Drop Impact, Coalescence and Evaporation on Superheated Surfaces V
Spray cooling is a very effective method for cooling of electronic devices. The study of the impact of single and ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Numerical Investigation of Drop Impact, Coalescence and Evaporation on Superheated Surfaces VI
Spray cooling is a very effective method for cooling of electronic devices. The study of the impact of single and ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Quantification of Turbulent Coflow Effects on Liquid Fuel Atomization from a Pressure Swirl Atomizer
In response to the growing need for sustainable energy solutions and emission reduction, gas turbines offer a viable ...
Engineering SciencesProcess Engineering, Technical Chemistry
Size Dependence of FeNC-Model Complexes’ Spectroscopic Parameters
While hydrogen is promising for energy storage or mobility applications, the platinum catalysts often needed to convert ...
Natural SciencesPhysical and Theoretical Chemistry
Spectroscopic Properties and ORR Reaction Paths for FeNC Catalyst Models
With street traffic being a major contributor to carbon dioxide emission and global warming, alternatives to the ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Structure Optimization, Dielectric and Magnetic Properties of Pure Silicon as well as Iron-Doped Silicon and Tin Clusters
The previous investigation of SnN clusters with N = 6−40 showed that below a clusters size of about 30 atoms, a prolate ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Testing a Sampling Based Method for Capturing the Mössbauer Spectroscopy’s Temperature Dependence
Combined with quantum chemical calculations, Mössbauer spectroscopy is a powerful tool to elucidate the structure of ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Wigner Sampling of Mössbauer-Parameters
Mössbauer spectroscopy is a powerful tool for investigating iron in molecular and especially amorphous systems. Combined ...
NaturwissenschaftenPhysikalische und Theoretische Chemie-
Advanced Modeling Strategies for Turbulent Hydrogen Flames
The German government’s National Hydrogen Strategy has identified hydrogen as a crucial technology in achieving the ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics 
Combustion of Individual Iron Microparticles With Resolved Boundary Layers I
Metal fuels are promising green energy carriers due to their high volumetric energy density, recyclability, and ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
High Fidelity Numerical Simulations of Atomization Process for Two-Fluid Nozzles
Spray drying is one of the most used manufacturing techniques by the pharmaceutical industry. It enhances the ...
Ingenieurwissenschaften
Influence of Wheel Wake on Vehicle Aerodynamics: A Numerical Study using Eddy-Resolving Turbulence Models
Motivated by the cost-cutting in the process of vehicle certification, the industry sees a growing potential in the ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Investigation of Photochemical Pathways to Metal-Nitrene Compounds from Azide Precursors I
Metal nitrene compounds are highly reactive species with a unique electronic structure. Such compounds are promising ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Investigation of Spin Isomers in SnNFe with N = 8-16
In the framework of the Collaborative Research Center (CRC 1487), iron is studied as a substitute for rare-earth metals ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Investigation of the Diastereodivergent Asymmetric Allylic Alkylation of Cyclobutenes
The Pd-catalyzed asymmetric allylic alkylation of cyclobutenes is known to proceed in a deracemizing, de-epimerizing and ...
NaturwissenschaftenMolekülchemie
Mixture Formation and Combustion of Alcohols and Other Biogenic Fuels in Mixture-Controlled Combustion Processes
This project aims to investigate various renewable fuels in 3D spray simulations (synthetic and biogenetic). For ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Numerical Analysis of Surfactant Transport and Wetting Phenomena in Inkjet Printing
Droplet impingement and spreading are of particular relevance for various technical applications, including inkjet ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
