@article{13417, author = {{Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf Gero}}, issn = {{0192-8651}}, journal = {{Journal of Computational Chemistry}}, pages = {{2276--2282}}, title = {{{Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition}}}, doi = {{10.1002/jcc.24878}}, year = {{2017}}, } @article{13414, author = {{Riefer, A. and Schmidt, Wolf Gero}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, number = {{23}}, title = {{{Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides}}}, doi = {{10.1103/physrevb.96.235206}}, volume = {{96}}, year = {{2017}}, } @article{13420, author = {{Nozaki, Daijiro and Schmidt, Wolf Gero}}, issn = {{0192-8651}}, journal = {{Journal of Computational Chemistry}}, pages = {{1685--1692}}, title = {{{Current density analysis of electron transport through molecular wires in open quantum systems}}}, doi = {{10.1002/jcc.24812}}, volume = {{38}}, year = {{2017}}, } @article{13418, author = {{Sanna, Simone and Schmidt, Wolf Gero}}, issn = {{0953-8984}}, journal = {{Journal of Physics: Condensed Matter}}, title = {{{LiNbO3 surfaces from a microscopic perspective}}}, doi = {{10.1088/1361-648x/aa818d}}, year = {{2017}}, } @article{13412, author = {{Konieczna, Dagny D. and Biller, Harry and Witte, Matthias and Schmidt, Wolf Gero and Neuba, Adam and Wilhelm, René}}, issn = {{0040-4020}}, journal = {{Tetrahedron}}, pages = {{142--149}}, title = {{{New pyridinium based ionic dyes for the hydrogen evolution reaction}}}, doi = {{10.1016/j.tet.2017.11.053}}, year = {{2017}}, } @article{13359, author = {{Ma, Xuekai and Egorov, Oleg A. and Schumacher, Stefan}}, issn = {{0031-9007}}, journal = {{Physical Review Letters}}, number = {{15}}, title = {{{Creation and Manipulation of Stable Dark Solitons and Vortices in Microcavity Polariton Condensates}}}, doi = {{10.1103/physrevlett.118.157401}}, volume = {{118}}, year = {{2017}}, } @article{13361, author = {{Lafont, O. and Luk, S. M. H. and Lewandowski, P. and Kwong, N. H. and Leung, P. T. and Galopin, E. and Lemaitre, A. and Tignon, J. and Schumacher, Stefan and Baudin, E. and Binder, R.}}, issn = {{0003-6951}}, journal = {{Applied Physics Letters}}, title = {{{Controlling the optical spin Hall effect with light}}}, doi = {{10.1063/1.4975681}}, year = {{2017}}, } @article{13356, author = {{Ma, Xuekai and Schumacher, Stefan}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, number = {{23}}, title = {{{Vortex-vortex control in exciton-polariton condensates}}}, doi = {{10.1103/physrevb.95.235301}}, volume = {{95}}, year = {{2017}}, } @article{13803, author = {{Giannozzi, P and Andreussi, O and Brumme, T and Bunau, O and Buongiorno Nardelli, M and Calandra, M and Car, R and Cavazzoni, C and Ceresoli, D and Cococcioni, M and Colonna, N and Carnimeo, I and Dal Corso, A and de Gironcoli, S and Delugas, P and DiStasio, R A and Ferretti, A and Floris, A and Fratesi, G and Fugallo, G and Gebauer, R and Gerstmann, Uwe and Giustino, F and Gorni, T and Jia, J and Kawamura, M and Ko, H-Y and Kokalj, A and Küçükbenli, E and Lazzeri, M and Marsili, M and Marzari, N and Mauri, F and Nguyen, N L and Nguyen, H-V and Otero-de-la-Roza, A and Paulatto, L and Poncé, S and Rocca, D and Sabatini, R and Santra, B and Schlipf, M and Seitsonen, A P and Smogunov, A and Timrov, I and Thonhauser, T and Umari, P and Vast, N and Wu, X and Baroni, S}}, issn = {{0953-8984}}, journal = {{Journal of Physics: Condensed Matter}}, number = {{46}}, title = {{{Advanced capabilities for materials modelling with Quantum ESPRESSO}}}, doi = {{10.1088/1361-648x/aa8f79}}, volume = {{29}}, year = {{2017}}, } @article{7481, abstract = {{The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the G0W0 (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn–VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe–Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.}}, author = {{Riefer, Arthur and Weber, Nils and Mund, Johannes and Yakovlev, Dmitri R. and Bayer, Manfred and Schindlmayr, Arno and Meier, Cedrik and Schmidt, Wolf Gero}}, issn = {{1361-648X}}, journal = {{Journal of Physics: Condensed Matter}}, number = {{21}}, publisher = {{IOP Publishing}}, title = {{{Zn–VI quasiparticle gaps and optical spectra from many-body calculations}}}, doi = {{10.1088/1361-648x/aa6b2a}}, volume = {{29}}, year = {{2017}}, } @article{13289, author = {{Yulin, A. and Driben, R. and Meier, Torsten}}, issn = {{2469-9926}}, journal = {{Physical Review A}}, number = {{3}}, title = {{{Bloch oscillations and resonant radiation of light propagating in arrays of nonlinear fibers with high-order dispersion}}}, doi = {{10.1103/physreva.96.033827}}, volume = {{96}}, year = {{2017}}, } @article{13332, author = {{Podzimski, Reinold and Duc, Huynh Thanh and Meier, Torsten}}, issn = {{2469-9950}}, journal = {{Physical Review B}}, number = {{20}}, title = {{{Anisotropic excitons and their contributions to shift current transients in bulk GaAs}}}, doi = {{10.1103/physrevb.96.205201}}, volume = {{96}}, year = {{2017}}, } @phdthesis{33, abstract = {{Lightweight materials play an ever growing role in today's world. Saving on the mass of a machine will usually translate into a lower energy consumption. However, lightweight applications are prone to develop performance problems due to vibration induced by the operation of the machine. The Fraunhofer Institute for Manufacturing Technology and Advanced Materials in Dresden conducts research into the damping properties of composite materials. They are experimenting with hollow, particle filled spheres embedded in the lightweight material. Such a system is the technical motivation of this thesis. Ultimately, a numerical experiment to derive the coefficient of restitution is required. The simulation developed in this thesis is based on a discrete element method to track the individual particle and sphere trajectories. Based on a potential based approach for the particle interactions deployed in molecular dynamics, the behavior of the particles can be controlled effectively. The simulated volume is using reflecting boundaries and encloses the hollow sphere. In this work, a highly flexible memory structure was used with a linked cell approach to cope with the highly flexible mass of particles. This allows for a linear complexity of the method in regard to the particle number by reducing the computational overhead of the interaction computation. Multiple numerical experiments show the great effect the particles have on the damping behavior of the system.}}, author = {{Steinle, Tobias}}, title = {{{Modeling and simulation of metallic, particle-damped spheres for lightweight materials}}}, year = {{2016}}, } @inproceedings{34, author = {{Dellnitz, Michael and Eckstein, Julian and Flaßkamp, Kathrin and Friedel, Patrick and Horenkamp, Christian and Köhler, Ulrich and Ober-Blöbaum, Sina and Peitz, Sebastian and Tiemeyer, Sebastian}}, booktitle = {{Progress in Industrial Mathematics at ECMI}}, issn = {{2212-0173}}, pages = {{633--641}}, publisher = {{Springer International Publishing}}, title = {{{Multiobjective Optimal Control Methods for the Development of an Intelligent Cruise Control}}}, doi = {{10.1007/978-3-319-23413-7_87}}, volume = {{22}}, year = {{2016}}, } @inproceedings{19, abstract = {{Version Control Systems (VCS) are a valuable tool for software development and document management. Both client/server and distributed (Peer-to-Peer) models exist, with the latter (e.g., Git and Mercurial) becoming increasingly popular. Their distributed nature introduces complications, especially concerning security: it is hard to control the dissemination of contents stored in distributed VCS as they rely on replication of complete repositories to any involved user. We overcome this issue by designing and implementing a concept for cryptography-enforced access control which is transparent to the user. Use of field-tested schemes (end-to-end encryption, digital signatures) allows for strong security, while adoption of convergent encryption and content-defined chunking retains storage efficiency. The concept is seamlessly integrated into Mercurial---respecting its distributed storage concept---to ensure practical usability and compatibility to existing deployments.}}, author = {{Lass, Michael and Leibenger, Dominik and Sorge, Christoph}}, booktitle = {{Proc. 41st Conference on Local Computer Networks (LCN)}}, isbn = {{978-1-5090-2054-6}}, keywords = {{access control, distributed version control systems, mercurial, peer-to-peer, convergent encryption, confidentiality, authenticity}}, publisher = {{IEEE}}, title = {{{Confidentiality and Authenticity for Distributed Version Control Systems - A Mercurial Extension}}}, doi = {{10.1109/lcn.2016.11}}, year = {{2016}}, } @misc{5418, author = {{Tölke, Christian}}, publisher = {{Universität Paderborn}}, title = {{{Sicherheit von hybriden FPGA-Systemen in der industriellen Automatisierungstechnik -- Anforderungen und Umsetzung}}}, year = {{2016}}, } @misc{5420, author = {{Wüllrich, Gunnar}}, publisher = {{Universität Paderborn}}, title = {{{Dynamic OpenCL Task Scheduling for Energy and Performance in a Heterogeneous Environment}}}, year = {{2016}}, } @phdthesis{161, author = {{Kenter, Tobias}}, publisher = {{Universität Paderborn}}, title = {{{Reconfigurable Accelerators in the World of General-Purpose Computing}}}, year = {{2016}}, } @inbook{29, abstract = {{In this chapter, we present an introduction to the ReconOS operating system for reconfigurable computing. ReconOS offers a unified multi-threaded programming model and operating system services for threads executing in software and threads mapped to reconfigurable hardware. By supporting standard POSIX operating system functions for both software and hardware threads, ReconOS particularly caters to developers with a software background, because developers can use well-known mechanisms such as semaphores, mutexes, condition variables, and message queues for developing hybrid applications with threads running on the CPU and FPGA concurrently. Through the semantic integration of hardware accelerators into a standard operating system environment, ReconOS allows for rapid design space exploration, supports a structured application development process and improves the portability of applications between different reconfigurable computing systems.}}, author = {{Agne, Andreas and Platzner, Marco and Plessl, Christian and Happe, Markus and Lübbers, Enno}}, booktitle = {{FPGAs for Software Programmers}}, editor = {{Koch, Dirk and Hannig, Frank and Ziener, Daniel}}, isbn = {{978-3-319-26406-6}}, pages = {{227--244}}, publisher = {{Springer International Publishing}}, title = {{{ReconOS}}}, doi = {{10.1007/978-3-319-26408-0_13}}, year = {{2016}}, } @inproceedings{31, author = {{Riebler, Heinrich and Vaz, Gavin Francis and Plessl, Christian and Trainiti, Ettore M. G. and Durelli, Gianluca C. and Bolchini, Cristiana}}, booktitle = {{Proc. HiPEAC Workshop on Reonfigurable Computing (WRC)}}, title = {{{Using Just-in-Time Code Generation for Transparent Resource Management in Heterogeneous Systems}}}, year = {{2016}}, }