University of Paderborn

About: University of Paderborn is a education organization based out in Paderborn, Nordrhein-Westfalen, Germany. It is known for research contribution in the topics: Computer science & Context (language use). The organization has 6684 authors who have published 16929 publications receiving 323154 citations.

The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics

Abstract: The Chemistry Development Kit (CDK) is a freely available open-source Java library for Structural Chemo- and Bioinformatics. Its architecture and capabilities as well as the development as an open-source project by a team of international collaborators from academic and industrial institutions is described. The CDK provides methods for many common tasks in molecular informatics, including 2D and 3D rendering of chemical structures, I/O routines, SMILES parsing and generation, ring searches, isomorphism checking, structure diagram generation, etc. Application scenarios as well as access information for interested users and potential contributors are given.

Electronic and magnetic phase diagram of β-Fe1.01Se with superconductivity at 36.7 K under pressure

Abstract: Superconductivity was recently observed in the binary iron-based compound, FeSe. It is now shown that under pressure, the transition temperature can rise above 36 K. In addition, no static magnetic ordering is observed for this system, contrary to FeAs superconductors. The discovery of new high-temperature superconductors1 based on FeAs has led to a new ‘gold rush’ in high-TC superconductivity. All of the new superconductors share the same common structural motif of FeAs layers and reach TC values up to 55 K (ref. 2). Recently, superconductivity has been reported in FeSe (ref. 3), which has the same iron pnictide layer structure, but without separating layers. Here, we report the magnetic and electronic phase diagram of β-Fe1.01Se as a function of temperature and pressure. The superconducting transition temperature increases from 8.5 to 36.7 K under an applied pressure of 8.9 GPa. It then decreases at higher pressures. A marked change in volume is observed at the same time as TC rises, owing to a collapse of the separation between the Fe2Se2 layers. No static magnetic ordering is observed for the whole p–T phase diagram. We also report that at higher pressures (starting around 7 GPa and completed at 38 GPa), Fe1.01Se transforms to a hexagonal NiAs-type structure and exhibits non-magnetic behaviour.

Toward a mathematical theory of Keller–Segel models of pattern formation in biological tissues

Abstract: This paper proposes a survey and critical analysis focused on a variety of chemotaxis models in biology, namely the classical Keller–Segel model and its subsequent modifications, which, in several cases, have been developed to obtain models that prevent the non-physical blow up of solutions. The presentation is organized in three parts. The first part focuses on a survey of some sample models, namely the original model and some of its developments, such as flux limited models, or models derived according to similar concepts. The second part is devoted to the qualitative analysis of analytic problems, such as the existence of solutions, blow-up and asymptotic behavior. The third part deals with the derivation of macroscopic models from the underlying description, delivered by means of kinetic theory methods. This approach leads to the derivation of classical models as well as that of new models, which might deserve attention as far as the related analytic problems are concerned. Finally, an overview of the entire contents leads to suggestions for future research activities.

Dispersionless Phase Discontinuities for Controlling Light Propagation

Abstract: Ultrathin metasurfaces consisting of a monolayer of subwavelength plasmonic resonators are capable of generating local abrupt phase changes and can be used for controlling the wavefront of electromagnetic waves. The phase change occurs for transmitted or reflected wave components whose polarization is orthogonal to that of a linearly polarized (LP) incident wave. As the phase shift relies on the resonant features of the plasmonic structures, it is in general wavelength-dependent. Here, we investigate the interaction of circularly polarized (CP) light at an interface composed of a dipole antenna array to create spatially varying abrupt phase discontinuities. The phase discontinuity is dispersionless, that is, it solely depends on the orientation of dipole antennas, but not their spectral response and the wavelength of incident light. By arranging the antennas in an array with a constant phase gradient along the interface, the phenomenon of broadband anomalous refraction is observed ranging from visible to ...

Sub-cycle control of terahertz high-harmonic generation by dynamical Bloch oscillations

Abstract: Terahertz waveforms with peak fields of 72 MV cm−1 and a central frequency of 30 THz drive interband polarization in bulk GaSe off-resonantly and accelerate excited electron–hole pairs, inducing dynamical Bloch oscillations. This results in the emission of phase-stable, high-harmonic transients over the whole frequency range of 0.1–675 THz.