Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 151 - 180 of 372
Ab-Initio Molecular Dynamics Simulations of Ultrafast Excited Graphite and Amorphous Carbon
Femtosecond laser pulses excite the electrons of matter to a high temperature whereas the ions remain mainly unaffected ...
Natural SciencesTheoretical Condensed Matter Physics
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 ...
Natural SciencesMolecular Chemistry
Analysis of Magnetically Coupled Wavefunctions in Transition Metal Complexes
Magnetic interactions in transition metal complexes arise from coupling of unpaired electrons, usually localized ...
Natural SciencesPhysical and Theoretical Chemistry
BMWi AiF Project 20224 ’Flow Erosion’
The underlying research project deals with the flow accelerated corrosion and erosion in cooling systems of combustion ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Calculating Photoelectron Binding Energies on Organic Molecules to Assist Photoemission Spectra Interpretation
The photoelectron spectroscopy data of organic molecules, in our case organic semiconductors, are mainly dominated by ...
Natural SciencesChemical Solid State and Surface Research
Calculations of Vibrational Spectra for Different Facets of Ceria Using Density Functional Theory (DFT)
Ceria is an important support material for precious metals to catalyze oxidation reactions such as CO oxidation or the ...
Natural SciencesChemical Solid State and Surface Research
Color Center Formation Induced by Femtosecond Lasers
The interactions of ultrashort-light pulses with solids and nanostructures is a continuously growing area due to the ...
Natural SciencesTheoretical Condensed Matter Physics
Comparison of Drag Models for Fluidized Beds and Validation by Cold Flow Experiments
Nowadays, the design and optimization of fluidized beds are primarily based on experimental investigations which are ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Computational Modelling of Multiple Photoswitches
The computational modeling of molecular transformations in organic chemistry, e.g. photo-inducible isomerizations of ...
Natural SciencesMolecular Chemistry
Development of a Validated and Efficient Calculation Method to Expand the Operating Range of Centrifugal Pumps for Pumping Gas Loaded Liquids
Many technical applications in chemistry engineering are multiphase flows as they contain entrained air or effects such ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
DNS of Viscoelastic Fluids
Recent numerical stabilization approaches provide new opportunities for viscoelastic flow simulations. The numerical ...
Natural SciencesMathematics
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 ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
First-Principles Calculations on Grain Boundaries in Nanocrystalline Graphene
The modification of intrinsic properties of graphene via defects, such as grain boundaries, has been an intense field of ...
Natural SciencesTheoretical Condensed Matter Physics
Flow Erosion
The underlying research project deals with the flow accelerated corrosion and erosion in cooling systems of combustion ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
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 ...
Natural SciencesTheoretical Condensed Matter Physics
High Throughput Screening for Spin-Polarized Current in Noncollinear Materials
Like perovskite materials, antiperovskites (APVs) display many intriguing physical properties. Particularly, the ...
Natural SciencesTheoretical Condensed Matter Physics
High Throughput Screening of Topological Properties in Ferromagnets
In this work, we performed first-principles calculations to evaluate the anomalous Hall conductivity as well as the ...
Natural SciencesTheoretical Condensed Matter Physics
Improved Dynamics in Hybrid Particle-Field Simulations of Polymers With Slip-Spring Model
Entanglements between polymer chains are demonstrated as one of the key factors to modulate the macroscopic physical ...
Natural SciencesPhysical and Theoretical Chemistry
Large-Scale Configuration Interaction for Ab Initio Nuclear Structure
The goal of ab initio nuclear structure theory is the description of correlated systems of many nucleons based on the ...
Natural SciencesParticles, Nuclei and Fields
Laser-Induced Generation Nanostructures and Nanoparticles of Different Materials in Different Media: Molecular Dynamics Investigation
The mechanisms of laser-matter interaction are of great importance for many applications including the development of ...
Natural SciencesTheoretical Condensed Matter Physics
Lufo 5 PRESTIGE
The high pressure turbine design is strongly affected by the flow in the upstream combustor. Very high temperatures ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Numerical Investigation of Drop Impact, Coalescence and Evaporation on Superheated Surfaces I
Spray cooling is a promising technology to remove heat from a hot target. To contribute to a better understanding of the ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Numerical Investigation on the Thermodynamic Performance of an Exhaust Gas System of an IC-Engine Using Large Eddy Simulation
The exhaust gas system is a very important part of internal combustion engines, since its structure and thermodynamic ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Numerical Investigations of Soot Formation in a Model Aircraft Combustor
Soot is an undesired particulate pollutant generated from an incomplete combustion of hydrocarbons. Due to its ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Numerical Prediction of Thermal Turbine Blade Behavior
In order to obtain high efficiencies in modern jet engines, turbine inlet temperatures substantially exceed thermal ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Phase Diagram Calculations for Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
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 ...
Natural SciencesMolecular Chemistry
Simulation of High-Pressure Spray Flames I
The formation of pollutants in direct injection engines is a field of research with high practical importance. In front ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Topological Susceptibility at High Temperatures from Lattice Quantum Chromodynamics
The theory of the strong interaction, Quantum Chromodynamics, is known to have complicated topological structures called ...
Natural SciencesParticles, Nuclei and Fields
Unsteady Numerical Simulations of Multi-Element Airfoil
As high-lift configurations, multi-element airfoils have shown satisfactory aerodynamic performance at high Reynolds ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
