Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 100
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
Distributed Intelligence: Federated Learning in Cardiovascular Data
In recent years, Cardiovascular diseases (CVDs) and other cardiac abnormalities have been on the rise, becoming a ...
Life SciencesBasic Research in Biology and MedicineEngineering SciencesSystems Engineering-
First-Principles Calculations of Spectroscopic Signatures III
Linking experimental and theoretical observations on a physical system is one of the key objectives of modern science ...
Natural SciencesTheoretical Condensed Matter Physics 
GPU-Accelerated Solution of Many Small ODE Systems for High-Temperature Component Lifetime Modeling
Predicting the lifetime of components designed for very high temperatures is crucial for improving the efficiency and ...
Engineering SciencesMaterials ScienceComputer Science
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 ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
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 
Ab Initio Calculations of the Redox Chemistry in Alkali-Oxygen Batteries
Alkali metal-oxygen batteries have a particularly high energy density and therefore concepts for rechargeable batteries ...
Natural SciencesPhysical and Theoretical Chemistry
Ab-Initio Description of Phase Transitions in TiO2 and Ab-Initio Molecular Dynamics Simulations of Ultrafast Excited Graphene and Amorphous Carbon
The understanding of the interaction of ultrashort light pulses with solids and nanostructures is important for both ...
Natural SciencesTheoretical Condensed Matter Physics
Ab-initio Modeling of Battery Materials
Improved batteries are needed to meet increasing energy demands worldwide (e.g., portable and medical devices, e ...
Engineering SciencesMaterials Science-
Adaptive Numerical Wavelet Frame Methods for Elliptic and Parabolic Operator Equations, Inverse Problems, and Stochastic Evolution Equations
Many real-world phenomena are modelled by partial differential equations. Even in relatively low dimensions, the ...
Natural SciencesMathematics 
Alternative Ephemeris Representations for Astrodynamical Simulations on Multi-Core CPUs and Accelerator Cards
Spacecraft missions of the European Space Agency (ESA) are required to meet specific probabilistic requirements ...
Engineering SciencesComputer Science
Application of a Hybrid Filtered Eulerian Stochastic Field/Flamelet Progress Variable Method on a Non-Premixed Oxy-Flame Cases Using OpenFOAM Code
Nowadays the fuels combustion still sustain most of the energy needs and its productions. Different studies have been ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
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
Atmospheric Dynamics
Atmospheric gravity waves (GWs) are rather short in wavelength (1km – 100km in the horizontal, 100m – 10km in the ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research-
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 ...
Natural SciencesMolecular Chemistry 
Chemo-Mechanical Analysis of Inverse Opal Structures as Cathode for Lithium-Ion Batteries
Lithium-ion batteries are the fundamental technology of energy storage for all kind of mobile devices. The never ...
Engineering SciencesMaterials Science-
Comparing Importance of Webgraph Nodes via Random Walks
We planned to test a method for ranking nodes in a network (for example web pages in the internet) that is an ...
Natural SciencesMathematics 
Computational Analysis of GPCR Biased Signaling
G protein-coupled receptors (GPCRs) constitute a large family of membrane proteins which share a conserved structural ...
Life SciencesMedicine-
Computational Modeling of Photoswitches and Diels-Alder Reactions
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry 
Cononsolvency in Aqueous Alcohols Solutions
Smart polymers respond to environmental factors such as change in temperature, pH, or solvent. An example is the ...
Natural SciencesPhysical and Theoretical Chemistry
Decoding Concurrent IEEE 802.11 Transmissions with Imprecise Synchronization
Future wireless communication systems are envisioned to meet stringent latency requirements to support control ...
Engineering SciencesElectrical Engineering and Information TechnologyComputer Science-
Deep Reinforcement Learning under Uncertainty
Traditionally robots have been used in factories in predefined structured environments. Recently, robots are employed ...
Engineering SciencesComputer Science -
Density Functional Theory of Strongly Correlated Electrons: Exploiting the Links Between Ground-State Correlation Energy and Independent Fermion Entropy
The accurate many-particle description of systems exhibiting strong electronic correlations is one of the most ...
Natural SciencesTheoretical Condensed Matter Physics -
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 ...
Natural SciencesMolecular ChemistryPhysical and Theoretical Chemistry 
Determination of the Particle Loading of Drops in a Spray
Colloid suspension droplets are widely encountered in industrial processes, for instance fuels with dispersed, metallic ...
Natural SciencesOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas-
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 
Development and Optimization of the Combustion Process Using Oxymethylene Ethers on a CI Engine
The automotive industry is currently significantly driven by the reduction of CO2 and pollutant emissions. Lots of work ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Development of a Coupled CFD-CAA Tool for the Acoustic Simulation of Modern Combustion Chambers
Next generation aircraft engines will rely on premixed combustion systems, which are more prone to thermoacoustic ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics 
Ductile Shape Memory-Amorphous Nanolaminates
We model the deformation behaviour of metallic amorphous/crystalline nanolaminate systems using molecular-dynamics ...
Engineering SciencesMaterials Science
