Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Displaying 1 - 30 of 31
CCDCGAN: Inverse design of crystal structures
Autonomous materials discovery with desired properties is one of the ultimate goals for modern materials science, and ...
Natural SciencesTheoretical Condensed Matter Physics
Numerical Methods for the Model of Spatial Random Permutations and a Connection to Schramm-Loewner Evolution II
We made several numerical calculations regarding the model of Spatial Random Permutations (SRP). This is a model in ...
Natural SciencesMathematics
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
High-Throughput Design of New Perovskite Oxide Antiferroelectric Materials
Antiferroelectric (AFE) materials have recently been of a great interest, due to their unique applications in the energy ...
Natural SciencesTheoretical Condensed Matter Physics
Interplay Between Spin Orbital and Lattice Degrees of Freedom in Multiferroic and Orbital Ordered Oxide Systems
The electronic structure plays a key role in determining the physical properties of highly correlated electron systems ...
Natural SciencesTheoretical Condensed Matter Physics
Numerical Methods for the Model of Spatial Random Permutations and a Connection to Schramm-Loewner Evolution I
We made several numerical calculations regarding the model of Spatial Random Permutations (SRP). This is a model in ...
Natural SciencesMathematics
Rational Design of Narrow-Hysteresis Materials by Tailoring Magnetoelastic Interactions
One important aim of modern energy-conserving technologies is magnetic cooling at room temperature. This environmentally ...
Natural SciencesTheoretical Condensed Matter PhysicsEngineering 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
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
DNS of Viscoelastic Fluids
Recent numerical stabilization approaches provide new opportunities for viscoelastic flow simulations. The numerical ...
Natural SciencesMathematics
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 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
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
Comparing Importance of Webgraph Nodes via Random Walks
We planned to test a method for ranking nodes in a network (for example web pages in the internet) that is an ...
Natural SciencesMathematics
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
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-
Viscoelastic Flow Simulations
The “High Weissenberg Number Problem’’ (HWNP) has been a major challenge in computational rheology for the past four ...
Natural SciencesMathematics 
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
Modeling and Numerical Simulation of Species Transfer in Bubbly Flows Using OpenFOAM
The aim of our study is the deduction of an improved interfacial species transfer closure to be further used in bubble ...
Natural SciencesMathematics
Numerical Methods for Viscoelastic Single- and Multiphase Flows
The „High Weissenberg Number Problem“ (HWNP) has been a major challenge in computational rheology. It refers to the loss ...
Natural SciencesMathematics
Numerical Study of Binary Droplet Collisions at High Weber Numbers
When two droplets collide with each other, there are some interesting phenomena to be observed: the droplets can bounce ...
Natural SciencesMathematics
Preference Based Reinforcement Learning
Reinforcement Learning [1] is a common approach for solving sequential decision problems. The basic idea is to view a ...
Natural SciencesMathematicsEngineering SciencesComputer Science
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
Thermocapillary Droplet Actuation on a Wall
MMultiphase flows are present in many applications of industrial relevance. In addition, they are mostly accompanied by ...
Natural SciencesMathematics
