Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 1 - 30 of 69
Bayesian Inferences of the Nuclear Equation of State
The dense matter equation of state (EOS), which describes the properties of matter at very high densities, plays a key ...
Natural SciencesParticles, Nuclei and Fields
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
Defect chemistry and Band structure of NBT-xBT
Sodium bismuth titanate-barium titanate (Na0.5Bi0.5TiO3-BaTiO3, abbreviated as NBT- BT) with high Curie temperature and ...
Natural SciencesChemical Solid State and Surface Research-
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
Noise-Sensitivity of Algorithms and Applications
In modern scientific research, HPC systems are irreplaceable for advancing knowledge across various fields. However, as ...
Engineering SciencesComputer 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
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-
Constraint Space Projection Reinforcement Learning
The aim of the project is to develop a new family of optimization algorithms to handle convex constraints and evaluate ...
Engineering SciencesComputer Science 
Cooperative kinetics of defects and domain structures in ferroelectrics
Thin films of lead zirconate-titanate (PZT) belong to the most widely used ferroelectric materials. They possess large ...
Engineering SciencesMaterials Science
Defect Properties of Lead-Free Antiferroelectrics for Energy Storage Applications
Dielectric capacitors are considered to be promising candidates for energy storage applications in high power ...
Engineering SciencesMaterials Science
Design-Space Exploration for FPGA-Accelerators in Cloud Environments
FPGA cards are increasingly deployed to cloud data centers and made available to users as platform for the ...
Engineering SciencesComputer Science
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
