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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Displaying 1 - 30 of 51
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
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
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
Parallel Finite Element Methods for Complex Flows of Complex Fluids
The objective of this ongoing project is the continuous development and advancement of effective simulation methods for ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
Parametric Study on Determination of Load-Bearing Capacity of Dry-stacked Masonry Wall under Cyclic Loading
In the research area of circular building design, design concepts for sustainable masonry are being implemented using ...
IngenieurwissenschaftenBauwesen und Architektur
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-
Amortized Variational Inference by Policy Search
Variational inference with Gaussian mixture models (GMMs) can be used to learn highly tractable approximations of ...
IngenieurwissenschaftenInformatik 
CYWARN – Entwicklung von Strategien und Technologien zur Analyse und Kommunikation der Sicherheitslage im Cyberraum II
The increase in complex cyber-attacks illustrates the vulnerability of society and information infrastructure. In ...
IngenieurwissenschaftenInformatik
Detecting Suitcase Damages With Artificial Intelligence – IT-Project Lufthansa
Artificial intelligence is currently developing faster than ever and introduces many different possibilities. Our client ...
IngenieurwissenschaftenInformatik-
Gradient-Based Variational Inference by Policy Search
Many problems in machine learning involve inference from intractable distributions. For example, when learning latent ...
IngenieurwissenschaftenInformatik 
Imitation Learning for Lap Time Simulation
In order to facilitate rapid prototyping and testing in the advanced motorsport industry, we consider the problem of ...
IngenieurwissenschaftenInformatik
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
Model Predictive Control With Integrated Condition Observer for the Adjustment of Component Quality for Incremental Forming of Vulcanized Fiber
Over the past decade, there has been a significant shift in the industrial sector towards sustainability, leading to ...
IngenieurwissenschaftenProduktionstechnik
Predicting Human Similarity Judgments Using Normalizing Flows
Recent work has shown that deep neural networks are able to predict human similarity judgments with high accuracy (e.g ...
Geistes- und Sozialwissenschaften
Properties of Iron-Tin Clusters
For transition metal doped clusters, the transition metal and the host element play a fundamental role in the physical ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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 ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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 ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Combining Regenerative and Degenerative Methods in Growing Neural Networks
Neural networks are usually trained with a static architecture. However, the fields of growing and pruning, or ...
IngenieurwissenschaftenInformatik
CYWARN – Entwicklung von Strategien und Technologien zur Analyse und Kommunikation der Sicherheitslage im Cyberraum
The increase in complex cyber-attacks illustrates the vulnerability of society and information infrastructure. In ...
IngenieurwissenschaftenInformatik
Modelling of the Deformation Behaviour of Metal-Matrix-Composite Material with Brittle Cores
Permanent magnets are the key component of electric motors and generators, which currently have a high demand in the ...
IngenieurwissenschaftenProduktionstechnik
Optical Spectroscopy, Dielectric Properties and Structure Discrimination of SnN (20 ≤ N ≤ 40)
The previous investigation of neutral SnN clusters with N = 6 - 20 showed that for clusters with N ≤ 15 prolate ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Structure Discrimination of SnNGa with N = 9–15
Since semiconductors are fundamental for modern technologies, the research is focused on such materials and their ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Understanding and Exploiting an Iron Catalysed Route to New Chemical Synthons
The project focuses on an iron catalysed method to prepare unprecedented chemical synthons, developed in the group of Dr ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Investigation of the Electronic Structure of Nitrogen Photoactivation Complexes
Ammonia derived from atmospheric N2 and fossil H2 in the Haber-Bosch process represents the main source of nitrogen ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
