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Displaying 31 - 60 of 98
Testing and Development of Methods for the Calculation of Phase Diagrams of Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
A Cosolvent Surfactant Mechanism Affects Polymer Collapse in Miscible Good Solvents
The coil-globule transition of aqueous polymers is of profound significance in understanding the structure and function ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
Analysis of Magnetically Coupled Wavefunctions in Transition Metal Complexes
Magnetic interactions in transition metal complexes arise from coupling of unpaired electrons, usually localized ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Calculating Photoelectron Binding Energies on Organic Molecules to Assist Photoemission Spectra Interpretation
The photoelectron spectroscopy data of organic molecules, in our case organic semiconductors, are mainly dominated by ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Calculations of Vibrational Spectra for Different Facets of Ceria Using Density Functional Theory (DFT)
Ceria is an important support material for precious metals to catalyze oxidation reactions such as CO oxidation or the ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
DNS of Viscoelastic Fluids
Recent numerical stabilization approaches provide new opportunities for viscoelastic flow simulations. The numerical ...
NaturwissenschaftenMathematik
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 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
Large-Scale Configuration Interaction for Ab Initio Nuclear Structure
The goal of ab initio nuclear structure theory is the description of correlated systems of many nucleons based on the ...
NaturwissenschaftenTeilchen, Kerne und Felder
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
Phase Diagram Calculations for Interatomic Potentials
Understanding the behavior of different materials not only furthers general knowledge, but can also often be used for ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Topological Susceptibility at High Temperatures from Lattice Quantum Chromodynamics
The theory of the strong interaction, Quantum Chromodynamics, is known to have complicated topological structures called ...
NaturwissenschaftenTeilchen, Kerne und Felder
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 ...
NaturwissenschaftenPhysik der kondensierten Materie
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 ...
NaturwissenschaftenMathematik
Cononsolvency in Aqueous Alcohols Solutions
Smart polymers respond to environmental factors such as change in temperature, pH, or solvent. An example is the ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Effect of Strain on Transport Properties in Solid Electrolytes
Solid electrolytes (SE) in all-solid-state batteries due to their high safety and flexibility in design have attracted ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
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 ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Global Optimization of Aluminum-doped Tin Clusters
Semiconductors are the fundament of modern technology and as such still a topic of current research. With decrease in ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
High Resolution Coupled Climate Simulations Over Europe and the Mediterranean
The Mediterranean area will probably experience a strong impact of climate change. Due to the diverse topography of the ...
Natural SciencesAtmospheric Science, Oceanography and Climate Research
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
Inertial Transfer in Saturated Magnetohydrodynamic Dynamos
The ratio of viscous to Joule dissipation in turbulent conducting fluids is of importance in solar- and astrophysical ...
NaturwissenschaftenStatistische Physik, Weiche Materie, Biologische Physik, Nichtlineare Dynamik
Influence of Osmolytes on the Solvation of Peptides and Model-Peptides
The influence of osmolytes, like Trimethylamine-N-oxide (TMAO) and urea, on protein folding is well studied, yet the ...
NaturwissenschaftenPhysikalische und Theoretische Chemie-
Large-Scale Configuration Interaction for (Ab Initio) Nuclear Structure
The prime goal of ab initio nuclear structure theory is the description of strongly interacting systems starting from ...
NaturwissenschaftenOptik, Quantenoptik und Physik der Atome, Moleküle und Plasmen -
Matrix Elements of Next-Generation Chiral Interactions
In recent years interactions from chiral effective field theory (chiral EFT) have been used very successfully in ab ...
NaturwissenschaftenTeilchen, Kerne und Felder
