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Displaying 1 - 30 of 88
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 ...
NaturwissenschaftenTeilchen, Kerne und Felder
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 ...
IngenieurwissenschaftenMaterialwissenschaftInformatik-
Atomic Scale Modeling of Coherent Phase Transitions in Energy Storage Materials
Hydrogen has emerged as a crucial element in the pursuit of decarbonization and the transition to a sustainable energy ...
IngenieurwissenschaftenMaterialwissenschaft 
Understanding the Detrimental Nature of Dislocations in Layered Cathode Active Materials II
Layered transition metal oxides, derived from the model system LiCoO2, are used as cathode materials in Li-ion batteries ...
IngenieurwissenschaftenMaterialwissenschaft
Calculation on the Sphaleron Rate on 4D Lattices
Quantum Chromodynamics (QCD), sometimes referred to as the strong force, explains the forces that govern atomic nuclei ...
NaturwissenschaftenTeilchen, Kerne und Felder
Deformation Phenomena in Metallic Glass/High Entropy Nanolaminates
The application of metallic glasses (MGs) is limited by their brittle behavior at room temperature [1]. In order to ...
IngenieurwissenschaftenMaterialwissenschaft
Dislocations for Defect-Based Quantum Computing
A quantum computer is a device that exploits quantum behavior to solve a computational problem that cannot be tackled ...
NaturwissenschaftenPhysik der kondensierten MaterieIngenieurwissenschaftenMaterialwissenschaft
Fully Open-Shell Medium-Mass Nuclei and Electromagnetic Observables for Ab Initio Nuclear Structure IV
The ab initio description of medium-mass nuclei is one of the most dynamic frontiers in nuclear structure theory. One ...
NaturwissenschaftenTeilchen, Kerne und Felder
High-Throughput Design Co-based Heusler Alloys as Multi-Functional Magnetic Materials via Substitutional Doping
Heusler alloys are a remarkable class of intermetallic materials with a wide spectrum of intriguing physical properties ...
IngenieurwissenschaftenMaterialwissenschaft
High-Throughput Design of Chalcogenide Materials for Optoelectronic Devices
Optoelectronic materials have attracted significant attention owing to the global energy shortage and environmental ...
IngenieurwissenschaftenMaterialwissenschaft
Improved Nuclear Energy-Density Functionals from Local Chiral-Effective-Field-Theory Interactions
Nuclear energy density functionals successfully reproduce properties of nuclei across almost the entire nuclear chart ...
NaturwissenschaftenTeilchen, Kerne und Felder
Interatomic Potentials for Li-Si-O and Si-O-C
To understand and study complex materials at the atomic level, it is essential to be able to calculate forces and ...
IngenieurwissenschaftenMaterialwissenschaft
Large-Scale Configuration Interaction for Ab Initio Nuclear Structure II
The prime goal of ab initio nuclear structure theory is the description of correlated systems of many nucleons based on ...
NaturwissenschaftenTeilchen, Kerne und Felder
Numerical Bounds on Few Body Sector-Lengths
Analyzing the correlation structure of quantum systems is central to understanding their behaviour. The notion of sector ...
NaturwissenschaftenTeilchen, Kerne und FelderIngenieurwissenschaftenInformatik-
Precision Nuclear Structure Calculations with the In-Medium Similarity Renormalization Group
The structure of nuclei gives fundamental insight into strong interactions between nucleons, beyond-standard-model ...
NaturwissenschaftenTeilchen, Kerne und Felder 
The Physical Informed Machine Learning Guided Material Design and Characterization
X-ray Absorption Spectroscopy (XAS) is a pivotal technique in material research, requiring numerous sampling points for ...
IngenieurwissenschaftenMaterialwissenschaft
A Machine-Learning Interatomic Potential for the Si-O System
Nowadays, atomistic simulations are becoming more and more important. Due to the increasing availability of ...
IngenieurwissenschaftenMaterialwissenschaft
Electronic Structure Calculations on the Influence of Alkali Metals on the Properties of Ag-Containing Cu(In, Ga)(S, Se)2 Absorber Materials
The compound semiconductor system Cu(In, Ga)(S, Se)2 (short: CIGS) forms the basis for the currently most efficient thin ...
IngenieurwissenschaftenMaterialwissenschaft
Fully Open-Shell Medium-Mass Nuclei and Electromagnetic Observables for Ab Initio Nuclear Structure III
The ab initio description of nuclear structure phenomena has progressed tremendously over the past years. In particular ...
NaturwissenschaftenTeilchen, Kerne und Felder
Interatomic Potentials for Amorphous Solids From Second Principles
Metallic glasses (MGs) can be produced by quickly quenching alloy melts. They typically show a higher elastic limit and ...
IngenieurwissenschaftenMaterialwissenschaft
Investigation of Domain Switching Mechanics of Perovskite Ferroelectrics using Molecular Dynamics Simulations
Ferroelectric ceramics with perovskite structure can be used in novel cooling applications based on the electrocaloric ...
IngenieurwissenschaftenVerfahrenstechnik, Technische ChemieMaterialwissenschaft-
Matrix Elements of Next-Generation Chiral Interactions
The goal of ab initio nuclear structure theory is the description of nuclei from first principles without uncontrolled ...
NaturwissenschaftenTeilchen, Kerne und Felder 
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 ...
IngenieurwissenschaftenMaterialwissenschaft
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 ...
IngenieurwissenschaftenMaterialwissenschaft
Ab-initio Modeling of Battery Materials
One approach to the realization of safer batteries relies on all solid-state batteries (ASSB) which use a non-flammable ...
IngenieurwissenschaftenMaterialwissenschaft
Ab Initio No-Core Shell Model
The prime goal of ab initio nuclear structure theory is the description of correlated systems of many nucleons based on ...
NaturwissenschaftenTeilchen, Kerne und Felder
Ab-Initio Thermodynamics of Refractory Mo-Si-Ti Phases at High Temperatures
Refractory metal silicide systems like Mo-Si-Ti are expected to be ideal substrates in composite materials for high ...
IngenieurwissenschaftenMaterialwissenschaft
Algorithm Unfolding in Multicell Downlink MIMO Precoding
In wireless communications, beamforming is utilized for the reception and transmission of directional wireless signals ...
IngenieurwissenschaftenElektrotechnik und Informationstechnik
Calculating Temperature Dependent Properties of 2D Magnets
Predicting the temperature dependent properties of magnetic materials is still challenging, which cannot be dealt with ...
IngenieurwissenschaftenMaterialwissenschaft
Determination of Effective Electric Conductivity of UFG/PEI-Composites Considering Quantum Mechanical Tunnelling Effects
To reduce fuel consumption, the focus in vehicle construction shifts to lightweight constructions based on Mg or Al ...
IngenieurwissenschaftenMaterialwissenschaft
