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Displaying 1 - 12 of 12
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
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
Insights Into Molecular Cluster Materials With Adamantane-Like Core Structure by Considering Dimer Interactions
A class of cluster materials with an adamantane-like core structure (AdR4 or [(RE)4T6]; R=organic structure; E=Si, Ge ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
On the Protonation of Verdazyl Species in Aqueous Acidic Electrolytes
Verdazyl radicals are discussed as a possible candidate for application in organic redox flow batteries. These species ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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
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-
Improvement of Single- and Multicore Performance of Compressible and Incompressible Flow Solver Within the BoSSS Framework
Within the past decade, discontinuous Galerkin (DG) methods have attracted significant interest in a broad range of ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik 
Metal/Organic Interfaces Studied with Density Functional Theory
Metal/organic interfaces are found in several technologies that are key to developing modern electronic devices ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung-
Performance Analysis of BoSSS Solver Package
The Bounded Support Spectral Solver (BoSSS) is developed as a flexible solver package to enable research in (mostly) ...
IngenieurwissenschaftenInformatik -
Performance Analysis of BoSSS Solver Package (Bachelor Thesis)
The Bounded Support Spectral Solver (BoSSS) is developed as a flexible solver package to enable research in (mostly) ...
IngenieurwissenschaftenInformatik -
Tunnex: An Easy to Use Program to Compute Tunneling Rates
The behavior of small quantized particles to overcome potential energy barriers despite a lack of sufficient energy must ...
NaturwissenschaftenMolekülchemiePhysikalische und Theoretische Chemie 
Andauernde Weiterentwicklung eines Frameworks für numerische Simulationen auf Basis von Discontinuous Galerkin-Methoden
In den Ingenieurswissenschaften tritt eine Vielzahl von Problemstellungen auf, welche sich nur durch partielle ...
IngenieurwissenschaftenWärmeenergietechnik, Thermische Maschinen, Strömungsmechanik
