Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
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Displaying 31 - 56 of 56
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
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
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
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
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
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
Free-Stream Coherent Structures in the Asymptotic Suction Boundary Layer
The asymptotic suction boundary layer (ASBL) is a flow that develops over a flat bottom plate in the presence of suction ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
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
Inertial Transfer in Saturated Magnetohydrodynamic Dynamos
The ratio of viscous to Joule dissipation in turbulent conducting fluids is of importance in solar- and astrophysical ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
Modeling of Sortase-Linker Interactions for the iGEM Competition
Sortase A7M is an enzyme, which catalyzes the linking reaction of the N-terminal and the Cterminal region of two ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics
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
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
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-
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 -
Simulationsrechnungen zum zukünftigen PANDA Experiment
PANDA ist einer der geplanten Detektoren an der im Bau befindlichen FAIR-Forschungseinrichtung am GSI Helmholtzzentrum ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics 
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 -
Structure and Dynamics of Meso-Bio-Nano Systems
Biological matter, as well as any complex form of inanimate matter, consists of many different components linked by ...
Natural SciencesStatistical Physics, Soft Matter, Biological Physics, Nonlinear Dynamics 
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
