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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Displaying 1 - 21 of 21
Designing Materials With Photo-Induced Phase Transitions
The potential of chalcogenides in applications like optoelectronics, thermoelectrics, transparent contacts, and thin ...
NaturwissenschaftenPhysik der kondensierten Materie
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
High-Throughput Discovery of Mab and Mbene Superconductors
We survey the landscape of MAB and Mbene superconductors out of our previous high-throughput predictions using first ...
NaturwissenschaftenPhysik der kondensierten Materie
Phase Diagram of Inertial Active Brownian Particles
Active matter consisting of motile agents such as bacteria, algae, or synthetic microswimmers on the microscale and ...
NaturwissenschaftenPhysik der kondensierten Materie
CCDCGAN: Inverse design of crystal structures
Autonomous materials discovery with desired properties is one of the ultimate goals for modern materials science, and ...
NaturwissenschaftenPhysik der kondensierten Materie
Molecular Dynamics Simulation of Fe-based Magnetocaloric Materials
Magnetocaloric materials are of interest for magnetic refrigeration of microfluidic reactors, electronic chips or other ...
IngenieurwissenschaftenWerkstofftechnik
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
High Throughput Screening for Spin-Polarized Current in Noncollinear Materials
Like perovskite materials, antiperovskites (APVs) display many intriguing physical properties. Particularly, the ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
IngenieurwissenschaftenWerkstofftechnikMaterialwissenschaft
Simulation von Kohlenstoffnanoröhrchen
Kohlenstoffnanoröhren (englisch: carbon nanotubes, CNTs) besitzen eine Vielzahl interessanter mechanischer Eigenschaften ...
IngenieurwissenschaftenWerkstofftechnik
Modellierung des elektrokalorischen Effekts in bleifreien Relaxor-Ferroelektrika
Natrium Bismut Titanat (NBT) gehört zu der Gruppe der dielektrische Materialien (auch Isolatoren genannt). Dielektrika ...
IngenieurwissenschaftenWerkstofftechnik
Modelling of Extended Defects in CIGS Based Solar Cells
Chalcopyrite Cu(In,Ga)Se2 (CIGSe) are one of the most succesful materials used as absorber layer in thin-film solar ...
IngenieurwissenschaftenWerkstofftechnik
Molecular Dynamics Simulations of Nanoglasses
Metallic glasses (MGs) are of great technological interest because of their high strength and hardness [1]. However ...
IngenieurwissenschaftenWerkstofftechnik
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
Structure and Properties of Amorphous LiPON Electrolyte by First-Principles Simulations
Amorphous materials belonging to the family of Lithium Phosphorus Oxynitrides (LiPON) are increasingly popular solid ...
IngenieurwissenschaftenWerkstofftechnik
