Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 61 - 90 of 133
Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study
Since their invention in the 1960s, metallic glasses (MGs) gained great attention due to their high strength and elastic ...
Engineering SciencesMaterials Science
RUBI (Reference Multiscale Boiling Investigation) Simulation
Due to its high efficiency nucleate boiling is a promising process for the cooling of electronic devices either for ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Sensitivity Analysis of a Complex Multibody System
This project was a follow-up project for our initial project intended at setting up Lichtenberg Cluster for the use ...
Engineering Sciences
Simulation of Diamond Based Quantum Token
NV centers – a nitrogen atom together with a vacancy – embedded in diamond provide a promising system to generate ...
Natural SciencesTheoretical Condensed Matter Physics
Simulation of High-Pressure Spray Flames III
The formation of pollutants in direct injection engines is a field of research with high practical impact. Against this ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Structure Discrimination of SnNGa with N = 9–15
Since semiconductors are fundamental for modern technologies, the research is focused on such materials and their ...
Natural SciencesPhysical and Theoretical Chemistry
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 ...
Natural SciencesPhysical and Theoretical Chemistry
Understanding the Detrimental Nature of Dislocations in Layered Cathode Active Materials I
Layered transition metal oxides are employed as cathode materials in high-voltage, rechargeable lithium ion batteries ...
Engineering SciencesMaterials Science
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 ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
Unsteady 1-Way Coupling of Combustor and High-Pressure Turbine
The flow conditions at the combustor turbine interface (CTI) have a significant role in the development process of ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Unsteady Modeling and Simulation of Oxy-Fuel Combustion Chambers
To reduce the C02 footprint of the current energy and transport sector, hydrogen has become one of the most promising ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics-
Visuomotor Control of Pouring Liquids
Natural visuomotor control tasks such as pouring liquids into cups are trivial for humans but are challenging to model ...
Life SciencesNeurosciences 
Wind Field Simulation for Operation of UAS in Urban Environments
For the coming years, a strongly growing use of unmanned aerial vehicles (UAV) of all classes is predicted, for example ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
A Cosolvent Surfactant Mechanism Affects Polymer Collapse in Miscible Good Solvents
The coil-globule transition of aqueous polymers is of profound significance in understanding the structure and function ...
Natural SciencesPhysical and Theoretical Chemistry
A Gaussian Approximation Potential for Silica
For the understanding of materials it is often necessary to analyse them on the atomic scale. Molecular dynamics is a ...
Engineering SciencesMaterials Science
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
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
AddKraft-Thermo
In numerous new fields of technology (including lightweight construction, medical technology) it is desirable to ...
Engineering SciencesProduction Technology
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 ...
Engineering SciencesMaterials Science
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
Approximately Solving Mean Field Games via Entropy-Regularized Deep Reinforcement Learning
Reinforcement Learning (RL) has proven to be an empirically very successful approach to solving sequential decision ...
Engineering SciencesComputer Science
Balloon Estimators for Improving and Scaling the Nonparametric Off-Policy Policy Gradient
The Nonparametric Off-Policy Policy Gradient (NOPG) is a policy gradient algorithm to solve reinforcement learning tasks ...
Engineering SciencesComputer Science
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
Computationally-Intensive Subproblems in FPGA-Based Accelerator Design
Field-Programmable Gate Arrays (FPGA) contain programmable logic elements that can accommodate application-specific ...
Engineering SciencesComputer Science
