Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 75
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Engineering SciencesProcess Engineering, Technical Chemistry
Flexible HP-Turbines III
Over the last decades, turbomachinery has been subject of continuous improvement and fundamental research within the ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Gasification Processes with Integrated Surplus Electricity Integration for Flexible Power Generation and Production of Synthetic Fuels from Residual Materials (VERENA) II
Project VERENA aims to open new recycling paths for biogenic and municipal residues through different gasification ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Influence of Mixing Characteristics on Polymerization Reactors
The industrial production of high-density polyethylene (HDPE) through the catalytic polymerization of ethene is an ...
Engineering SciencesProcess Engineering, Technical Chemistry
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 ...
Natural SciencesPhysical and Theoretical Chemistry
Machine Learning Application in Automotive Catalysts
The computational resources of the Lichtenberg HPC were used in this project to train physics informed machine learning ...
Natural SciencesChemical Solid State and Surface Research
Multiscale Modelling of Cement-Based Materials III
The project seeks to create a comprehensive model linking nanoscale phenomena to larger-scale behaviors to better ...
Engineering SciencesConstruction Engineering and Architecture
Numerical Analysis of Iron Dust/Air Combustion
Iron powder can help in a clean and sustainable generation of heat and power and holds the potential to replace ...
Engineering Sciences
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesPhysical and Theoretical Chemistry
Wigner Sampling of Mössbauer-Parameters
Mössbauer spectroscopy is a powerful tool for investigating iron in molecular and especially amorphous systems. Combined ...
Natural SciencesPhysical and Theoretical Chemistry
Competence Development of Engineering Methodology for the Design of Centrifugal Compressors
A decisive property of centrifugal compressors for turbochargers is the map width, which defines the area of the ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Computer-Aided Analysis of Time-Lapse Microscopy Data II
During development and adult homeostasis, cells in our bodies need to constantly integrate internal and external ...
Life SciencesBasic Research in Biology and Medicine
Flexible HP-Turbines
The fluid temperatures in the high-pressure turbine of a commercial jet engine or industrial gas turbine by far exceed ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Improving the Model-Based Prediction of Vibroacoustic Vehicle Properties by Mastering Uncertainty
Vibroacoustic vehicle behavior specifies among others the quality of vehicles and contributes to customer satisfaction ...
Engineering SciencesMechanics and Constructive Mechanical Engineering
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesMolecular Chemistry
Multiscale Modelling of Cement-Based Materials II
The project aims to develop a bridging model that connects the nanoscale to the upscaled levels for understanding the ...
Engineering SciencesConstruction Engineering and Architecture
Properties of Iron-Tin Clusters
For transition metal doped clusters, the transition metal and the host element play a fundamental role in the physical ...
Natural SciencesPhysical and Theoretical Chemistry
Scientific Machine Learning for Chemical Kinetics
Detailed multi-scale modelling provides in-depth insights into the complex phenomena of catalytic systems that typically ...
Engineering SciencesProcess Engineering, Technical Chemistry
Structure Discrimination and Magnetic Properties of FeSnN with N =8–15
In the framework of the Collaborative Research Center (CRC 1487), iron is studied as a substitute for rare-earth metals ...
Natural SciencesPhysical and Theoretical Chemistry
Understanding and Exploiting an Iron Catalysed Route to New Chemical Synthons II
The project focuses on an iron catalysed method to prepare unprecedented chemical synthons, developed in the group of Dr ...
Natural SciencesPhysical and Theoretical Chemistry
Unsteady 1-Way Coupling of Combustor and High-Pressure Turbine II
The flow conditions at the combustor turbine interface (CTI) have a significant role in the development process of ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
CFD Analysis of Particle Emissions During Highly Transient Engine Operation
Soot is an unwanted particulate pollutant with detrimental impact on the human health and climate change. Its emission ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Chemical Looping Gasification for Sustainable Production of Biofuels (CLARA)
Project CLARA aims to develop Chemical Looping Gasification (CLG) technology from lab scale to industrial scale. CLG can ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Computer-Aided Analysis of Time-Lapse Microscopy Data I
During development and adult homeostasis, cells in our bodies need to constantly integrate internal and external ...
Life Sciences
