Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 215
Ab initio calculations on the intrinsic Spin Hall effect
The field of spintronics recently gained much interest because it promises faster, smaller and less energy consuming ...
Natural SciencesTheoretical Condensed Matter Physics
An atomic scale perspective of deformation mechanims of metallic glasses
Holding unique characteristics, such as a high strength and large elastic limit, metallic glasses are advanced materials ...
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry
High Throughput Screening and Tuning of Magnetic Two Dimensional Materials
The demand of minimization and feasibility of integration makes two-dimensional (2D) materials remarkable in promising ...
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
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
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 ...
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 ...
Atmospheric Science, Oceanography and Climate ResearchNatural Sciences
Bestimmung der Partikelbeladung von Tropfen in einem Spray
Colloid suspension droplets are widely encountered in industrial processes, for instance fuels with dispersed, metallic ...
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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 
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 ...
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 ...
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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 ...
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 ...
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Evaluation of the Thermo-Mechanical Behavior of Ventilated Truck Brake Discs
Brake discs are put to high thermomechanical stresses during operation. These loads might induce the so called heat ...
Engineering SciencesMechanics and Constructive Mechanical Engineering 
Fast circularisation of Rydberg atoms
Circular Rydberg states refer to the valence electron of a highly excited atom in a circular orbit. Due to their very ...
Natural SciencesOptics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
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 ...
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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 ...
Natural SciencesMolecular Chemistry 
GAMMA - Effiziente GAsmotoren für MaritiMe Anwendungen der nächsten Generation (Efficient gas engines for maritime applications of the next generation)
Not only in automotive and aviation industries, but also in shipping the engine manufacturer are forced by new ...
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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 ...
Natural SciencesMolecular Chemistry 
Global Optimization of Aluminum-doped Tin Clusters
Semiconductors are the fundament of modern technology and as such still a topic of current research. With decrease in ...
Natural SciencesPhysical and Theoretical Chemistry
Global Optimization of Gadolinium Doped Tin Clusters
Gadolinium-doped tin clusters belong to an interesting class of nanoalloys. They combine the quasi-aromatically ...
Natural SciencesMolecular Chemistry
Ground- and excited-state properties of substrate-supported nanowires calculated from first principles
Ideal one-dimensional electronic systems are characterized by unusual and fascinating physical phenomena, including ...
Natural SciencesTheoretical Condensed Matter Physics-
Improvement of single- and multicore performance of compressible and incompressible flow solver within the BoSSS framework
Within the past decade, discontinuous Galerkin (DG) methods have attracted significant interest in a broad range of ...
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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 ...
