Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Projekte
Displaying 61 - 89 of 89
Multi-Scale Modeling of Additive Manufactured Magnetic Materials
In need for alternatives to conventional cooling devices, the magnetocaloric effect (MCE) is one of the most promising ...
Engineering SciencesMaterials Science
Phase Field Simulation of Ferroelectrics and Antiferroelectrics
The electromechanical coupling properties of ferroelectric materials are widely studied and used to design macro and ...
Engineering SciencesMaterials Science
Structure-Property Relationships in Metallic Glasses
The current limits of metallic glasses are tied to their brittle behavior at room temperature [1]. To overcome brittle ...
Engineering SciencesMaterials Science
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
Ab-initio Modeling of Battery Materials
Improved batteries are needed to meet increasing energy demands worldwide (e.g., portable and medical devices, e ...
Engineering SciencesMaterials Science
Chemo-Mechanical Analysis of Inverse Opal Structures as Cathode for Lithium-Ion Batteries
Lithium-ion batteries are the fundamental technology of energy storage for all kind of mobile devices. The never ...
Engineering SciencesMaterials Science
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
Ductile Shape Memory-Amorphous Nanolaminates
We model the deformation behaviour of metallic amorphous/crystalline nanolaminate systems using molecular-dynamics ...
Engineering SciencesMaterials Science
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
High-Throughput Computational Screening Research on Mn-based Heusler Alloys
Comparing to traditional electronics, spintronics makes use of both charge and spin freedoms of electrons, which is ...
Natural SciencesTheoretical Condensed Matter Physics
High Throughput Optimization of Permanent Magnetic Materials
Permanent magnets are an important component in a wide range of everyday devices. Present high performance magnets like ...
Natural SciencesTheoretical Condensed Matter Physics
High Throughput Screening of Magnetic Antiperovskites
Analogous to perovskites, the antiperovskites (APVs) are also one of the most commonly explored materials in recent ...
Natural SciencesTheoretical Condensed Matter Physics
Interface Phenomena in Battery Materials and Exchange Spring Magnets
The project focused on interface phenomena in battery materials and exchange spring magnets but also studied the ...
Engineering SciencesMaterials EngineeringMaterials Science
Ion Conduction and Defect Formation in Sodium Bismuth Titanate Studied by Density Functional Theory Calculations
Atomistic calculations enable us to observe processes on the micro scale, where common continuum mechanics are not valid ...
Engineering SciencesMaterials Science
Modelling of Nanoparticle Generation due to a Short Laser Pulse and Nanoparticle Ablation in Different Media
This work is a successor of our previous study [1], were the mechanism of periodic nanostructuring process due to UV ...
Natural SciencesTheoretical Condensed Matter Physics
Multiscale Modeling of the Impact of Dislocations on the Electro-Chemo-Mechanical Behavior of Lithium-Ion Battery Electrodes
In this project, diffusion in Lithium-ion battery-electrodes is investigated on the microscale. Diffusion is often an ...
Engineering SciencesMaterials Science
Simulation of a Femtosecond Laser Excitation in Antimony
If a femtosecond laser pulses excites matter, the electrons are excited to a high temperature whereas the ions remain ...
Natural SciencesTheoretical Condensed Matter Physics
Ab-Initio Calculation of Fundamental Properties of Strained Heterostructures
Many opto-electronic devices, such as laser diodes, solar cells or semiconductor sensors, comprise of semiconductor ...
Natural SciencesTheoretical Condensed Matter PhysicsOptics, Quantum Optics and Physics of Atoms, Molecules and PlasmasEngineering SciencesMaterials Science
DFT Based Modeling of the Optical Properties of Dilute Bismides
For the modern communication and information technology semiconductors with improved optoelectronic properties are ...
Natural SciencesTheoretical Condensed Matter PhysicsOptics, Quantum Optics and Physics of Atoms, Molecules and PlasmasEngineering SciencesMaterials Science-
Multiscale Simulations Toward Predicting Temperature Dependent Properties of Magnetic Materials
Magnetic materials have been widely used in the modern society due to their intriguing functional properties. For ...
Engineering SciencesMaterials Science 
First-Principles Calculations on Stability of Absorber-Buffer Interface in CIGS-Based Thin Filmsolar Cells
In2S3 as alternative for CdS buffer layer in Cu(In, Ga) (S, Se)2 (CIGS)-base thin film solar cells has gained a lot of ...
Natural SciencesMolecular ChemistryEngineering SciencesMaterials Science
Beyond Ni-Based Superalloys
Improving the efficiency, performance and cost-effectiveness of energy production will depend critically on our ...
Engineering SciencesMaterials Science
Atomistic Computer Simulations of Amorphization in Metal/Metallic-Glass Multilayer Systems
Metals show a strong tendency to form crystalline, i.e., ordered phases. For unalloyed metals, the thermodynamically ...
Engineering SciencesMaterials Science
Electronic Pairing in Low-Dimensional Systems from Lattice Density-Functional Theory
The properties of strongly interacting electrons subject to local pairing interactions have been investigated ...
Natural SciencesTheoretical Condensed Matter Physics
Electronic Structure Calculations for Si Anodes in Li Ion Batteries
Silicon (Si) is one of the most attractive anode materials of Li-ion batteries [1, 2]. However, despite high specific ...
Engineering SciencesMaterials Science-
Phasenstabilität und elektronische Bandstruktur von Kupferoxid
Auf der Suche nach Materialien für zukünftige Anwendungen in Bereichen der Energiegewinnung und Elektronik stehen vor ...
Natural SciencesTheoretical Condensed Matter Physics 
Spectral Functions and Transport Coefficients of Matter under Extreme Conditions
A few milliseconds after the Big Bang, the universe was about 200,000 times hotter than the core of the sun, so that ...
Natural SciencesTheoretical Condensed Matter Physics-
SPP 1386 Nanostrukturierte Thermoelektrika - Wärmetransport in Silizium auf der Nanoskala
Ein limitierender Faktor für die weitere Miniaturisierung elektronischer Halbleiterbauelemente auf der Nanoskala ist die ...
Natural SciencesTheoretical Condensed Matter Physics 
Thermal Transport Properties in Magnetic Tunnel Junctions
The new research field of spincaloritronics is the combination of two research fields: magnetism (spintronics) and ...
Natural SciencesTheoretical Condensed Matter Physics
