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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Projekte
Displaying 1 - 30 of 55
An Agent-Based Model of Radiation-Induced Lung Fibrosis
Radiation-induced lung injuries such as pneumonitis and lung fibrosis (RILF) can lead to respiratory failure and ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
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
MD-Simulations to Study the Effect of Electric Fields on the SARS-CoV-2 Postfusion Structure
The interaction between the Spike (S) glycoprotein and the ACE2 receptor on the host cell constitutes the pivotal ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Modeling Soft and Biological Matter Systems
The project was majorly dedicated to build cell mechanistic models and study cell mechanics and cell migration. Both ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Agent-Based Model of Radiation-Induced Lung Toxicity
Understanding the pathophysiology of lung fibrosis is of paramount importance to elaborate targeted and effective ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Unraveling SARS-Cov-2 Spike Protein Conformational Dynamics Under the Influence of Electric Fields
The spike glycoprotein's interaction with the ACE2 receptor on the host cell is the crucial initial step for virus entry ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Algorithm Unfolding in Multicell Downlink MIMO Precoding
In wireless communications, beamforming is utilized for the reception and transmission of directional wireless signals ...
IngenieurwissenschaftenElektrotechnik und Informationstechnik
Bayesian Inference of Cyclic Transcription Dynamics
Transcription is the process of converting DNA into RNA and is essential to cellular life. The transcription process ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
From RNA Sequence to Coarse-Grained Molecular Dynamics
The dynamics of large biomolecules such as proteins or RNAs provide an important insight into their function and ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Probabilistic Power Plant Dispatch Prediction
To model future energy systems and their markets, it is important to understand the underlying dynamics of their ...
IngenieurwissenschaftenElektrotechnik und Informationstechnik
Testing and Development of Methods for the Calculation of Phase Diagrams of Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Activation of Small Molecules With Metal-Free Systems
Ammonia borane (NH3BH3) is an easy to handle solid capable of releasing up to 3 equivalents of dihydrogen and therefore ...
NaturwissenschaftenMolekülchemie
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
NaturwissenschaftenMolekülchemie-
Intelligent Optimization Process Through Reinforcement Learning
Lighting, both natural and artificial, has become a part of our daily lives that have been taken for granted in modern ...
IngenieurwissenschaftenElektrotechnik und Informationstechnik 
Phase Diagram Calculations for Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Prebiotic Formation of Sugars and Amino Acids Using Aminomethylene
After the matrix isolation of aminomethylene (H-C̈-NH2)[1] we study further the formation of amino acids and sugars in ...
NaturwissenschaftenMolekülchemie
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 
Decoding Concurrent IEEE 802.11 Transmissions with Imprecise Synchronization
Future wireless communication systems are envisioned to meet stringent latency requirements to support control ...
IngenieurwissenschaftenElektrotechnik und InformationstechnikInformatik-
Design and Synthesis of Arylphosphinidenes and Phosphirenes
It is well-known that the irradiation of aromatic azides, including phenyl azide, in solution and at cryogenic ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie 
Free-Stream Coherent Structures in the Asymptotic Suction Boundary Layer
The asymptotic suction boundary layer (ASBL) is a flow that develops over a flat bottom plate in the presence of suction ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik-
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 
Global Optimization of Gadolinium Doped Tin Clusters
Gadolinium-doped tin clusters belong to an interesting class of nanoalloys. They combine the quasi-aromatically ...
NaturwissenschaftenMolekülchemie
Implementation of Soil Physics Into the Ampacity Rating of Energy Cable Systems
So far, the soil physic characterization of the bedding material is included only rudimentarily into the calculation of ...
IngenieurwissenschaftenElektrotechnik und Informationstechnik-
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 
Inertial Transfer in Saturated Magnetohydrodynamic Dynamos
The ratio of viscous to Joule dissipation in turbulent conducting fluids is of importance in solar- and astrophysical ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
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
