@article{22656, author = {{Julin, S and Korpi, A and Shen, B and Liljeström, V and Ikkala, O and Keller, Adrian and Linko, V and Kostiainen, MA}}, issn = {{2040-3364}}, journal = {{Nanoscale}}, number = {{10}}, pages = {{4546--4551}}, title = {{{DNA origami directed 3D nanoparticle superlattice via electrostatic assembly.}}}, doi = {{10.1039/c8nr09844a}}, volume = {{11}}, year = {{2019}}, } @article{22657, author = {{Hajiraissi, Roozbeh and Hanke, Marcel and Gonzalez Orive, Alejandro and Duderija, Belma and Hofmann, Ulrike and Zhang, Yixin and Grundmeier, Guido and Keller, Adrian}}, issn = {{2470-1343}}, journal = {{ACS Omega}}, pages = {{2649--2660}}, title = {{{Effect of Terminal Modifications on the Adsorption and Assembly of hIAPP(20–29)}}}, doi = {{10.1021/acsomega.8b03028}}, volume = {{4}}, year = {{2019}}, } @inproceedings{22731, author = {{Joppen, Robert and von Enzberg, Sebastian and Gundlach, Jan and Kühn, Arno and Dumitrescu, Roman}}, booktitle = {{ 52nd CIRP Manufacturing Systems Conference, Ljubljana, 2019}}, editor = {{Butala, P. and Govekar, E. and Vrabic, R. and Roglej-Ritonja, A. and Bracun, D. and Kozjek, D. and Malus, A. and Selak, L. and Skulj, G.}}, location = {{ Ljubljana}}, title = {{{Key Performance Indicators in the Production of the Future}}}, year = {{2019}}, } @article{8646, author = {{Deppe, M. and Gerlach, J. W. and Shvarkov, S. and Rogalla, D. and Becker, H.-W. and Reuter, Dirk and As, Donat Josef}}, issn = {{0021-8979}}, journal = {{Journal of Applied Physics}}, title = {{{Germanium doping of cubic GaN grown by molecular beam epitaxy}}}, doi = {{10.1063/1.5066095}}, year = {{2019}}, } @article{17077, abstract = {{Cyanobacteriochromes are compact and spectrally diverse photoreceptor proteins that are promising candidates for biotechnological applications. Computational studies can contribute to an understanding at a molecular level of their wide spectral tuning and diversity. In this contribution, we benchmark methods to model a 110 nm shift in the UV/Vis absorption spectrum from a red- to a green-absorbing form of the cyanobacteriochrome Slr1393g3. Based on an assessment of semiempirical methods to describe the chromophore geometries of both forms in vacuo, we find that DFTB2+D leads to structures that are the closest to the reference method. The benchmark of the excited state calculations is based on snapshots from quantum mechanics/molecular mechanics molecular dynamics simulations. In our case, the methods RI-ADC(2) and sTD-DFT based on CAM-B3LYP ground state calculations perform the best, whereas no functional can be recommended to simulate the absorption spectra of both forms with time-dependent density functional theory. Furthermore, the difference in absorption for the lowest energy absorption maxima of both forms can already be modelled with optimized structures, but sampling is required to improve the shape of the absorption bands of both forms, in particular for the second band. This benchmark study can guide further computational studies, as it assesses essential components of a protocol to model the spectral tuning of both cyanobacteriochromes and the related phytochromes.}}, author = {{Wiebeler, Christian and Schapiro, Igor}}, issn = {{1420-3049}}, journal = {{Molecules}}, keywords = {{pc2-ressources}}, title = {{{QM/MM Benchmarking of Cyanobacteriochrome Slr1393g3 Absorption Spectra}}}, doi = {{10.3390/molecules24091720}}, year = {{2019}}, } @inproceedings{12876, abstract = {{In this paper, we present libDirectional, a MATLAB library for directional statistics and directional estimation. It supports a variety of commonly used distributions on the unit circle, such as the von Mises, wrapped normal, and wrapped Cauchy distributions. Furthermore, various distributions on higher-dimensional manifolds such as the unit hypersphere and the hypertorus are available. Based on these distributions, several recursive filtering algorithms in libDirectional allow estimation on these manifolds. The functionality is implemented in a clear, well-documented, and object-oriented structure that is both easy to use and easy to extend.}}, author = {{Kurz, Gerhard and Gilitschenski, Igor and Pfaff, Florian and Drude, Lukas and Hanebeck, Uwe D. and Haeb-Umbach, Reinhold and Siegwart, Roland Y.}}, booktitle = {{Journal of Statistical Software 89(4)}}, title = {{{Directional Statistics and Filtering Using libDirectional}}}, year = {{2019}}, } @inproceedings{12894, author = {{Augstein, Mirjam and Herder, Eelco and Wörndl, Wolfgang and Yigitbas, Enes}}, booktitle = {{30th ACM Conference on Hypertext and Social Media (HT ’19), September 17–20, 2019, Hof, Germany}}, publisher = {{ACM}}, title = {{{ABIS 2019 – 23rd International Workshop on Personalization and Recommendation on the Web and Beyond}}}, year = {{2019}}, } @article{15421, author = {{Vogt, Sarah and Skjæret-Maroni, N and Neuhaus, D and Baumeister, Jochen}}, issn = {{1386-5056}}, journal = {{Int J Med Inform}}, pages = {{46--58}}, title = {{{Virtual reality interventions for balance prevention and rehabilitation after musculoskeletal lower limb impairments in young up to middle-aged adults: A comprehensive review on used technology, balance outcome measures and observed effects.}}}, doi = {{10.1016/j.ijmedinf.2019.03.009}}, volume = {{126}}, year = {{2019}}, } @article{15425, author = {{Gokeler, Alli and Neuhaus, D and Benjaminse, A and Grooms, DR and Baumeister, Jochen}}, issn = {{0112-1642}}, journal = {{Sports Med}}, number = {{6}}, pages = {{853--865}}, title = {{{Principles of Motor Learning to Support Neuroplasticity After ACL Injury: Implications for Optimizing Performance and Reducing Risk of Second ACL Injury.}}}, doi = {{10.1007/s40279-019-01058-0}}, volume = {{49}}, year = {{2019}}, } @inproceedings{15488, abstract = {{The continuous refinement of sensor technologies enables the manufacturing industry to capture increasing amounts of data during the production process. As processes take time to complete, sensors register large amounts of time-series-like data for each product. In order to make this data usable, a feature extraction is mandatory. In this work, we discuss and evaluate different network architectures, input pre-processing and cost functions regarding, among other aspects, their suitability for time series of different lengths.}}, author = {{Thiel, Christian and Steidl, Carolin and Henning, Bernd}}, booktitle = {{20. GMA/ITG-Fachtagung. Sensoren und Messsysteme 2019}}, isbn = {{978-3-9819376-0-2}}, keywords = {{Dynamic Time Warping, Feature Extraction, Masking, Neural Networks}}, title = {{{P2.9 Comparison of deep feature extraction techniques for varying-length time series from an industrial piercing press}}}, doi = {{10.5162/SENSOREN2019/P2.9}}, year = {{2019}}, } @article{15724, author = {{Ojha, Deepak and Kaliannan, Naveen Kumar and Kühne, Thomas D.}}, issn = {{2399-3669}}, journal = {{Communications Chemistry}}, number = {{1}}, pages = {{116}}, title = {{{Time-dependent vibrational sum-frequency generation spectroscopy of the air-water interface}}}, doi = {{10.1038/s42004-019-0220-6}}, volume = {{2}}, year = {{2019}}, } @article{15738, author = {{Ohto, Tatsuhiko and Dodia, Mayank and Xu, Jianhang and Imoto, Sho and Tang, Fujie and Zysk, Frederik and Kühne, Thomas D. and Shigeta, Yasuteru and Bonn, Mischa and Wu, Xifan and Nagata, Yuki}}, issn = {{1948-7185}}, journal = {{The Journal of Physical Chemistry Letters}}, pages = {{4914--4919}}, title = {{{Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface}}}, doi = {{10.1021/acs.jpclett.9b01983}}, volume = {{10}}, year = {{2019}}, } @article{15740, author = {{Guc, Maxim and Kodalle, Tim and Kormath Madam Raghupathy, Ramya and Mirhosseini, Hossein and Kühne, Thomas D. and Becerril-Romero, Ignacio and Pérez-Rodríguez, Alejandro and Kaufmann, Christian A. and Izquierdo-Roca, Victor}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{1285--1291}}, title = {{{Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations}}}, doi = {{10.1021/acs.jpcc.9b08781}}, volume = {{124}}, year = {{2019}}, } @inproceedings{15921, abstract = {{Ranking plays a central role in a large number of applications driven by RDF knowledge graphs. Over the last years, many popular RDF knowledge graphs have grown so large that rankings for the facts they contain cannot be computed directly using the currently common 64-bit platforms. In this paper, we tackle two problems: Computing ranks on such large knowledge bases efficiently and incrementally. First, we present D-HARE, a distributed approach for computing ranks on very large knowledge graphs. D-HARE assumes the random surfer model and relies on data partitioning to compute matrix multiplications and transpositions on disk for matrices of arbitrary size. Moreover, the data partitioning underlying D-HARE allows the execution of most of its steps in parallel. As very large knowledge graphs are often updated periodically, we tackle the incremental computation of ranks on large knowledge bases as a second problem. We address this problem by presenting I-HARE, an approximation technique for calculating the overall ranking scores of a knowledge without the need to recalculate the ranking from scratch at each new revision. We evaluate our approaches by calculating ranks on the 3 × 10^9 and 2.4 × 10^9 triples from Wikidata resp. LinkedGeoData. Our evaluation demonstrates that D-HARE is the first holistic approach for computing ranks on very large RDF knowledge graphs. In addition, our incremental approach achieves a root mean squared error of less than 10E−7 in the best case. Both D-HARE and I-HARE are open-source and are available at: https://github.com/dice-group/incrementalHARE. }}, author = {{Desouki, Abdelmoneim Amer and Röder, Michael and Ngonga Ngomo, Axel-Cyrille}}, booktitle = {{Proceedings of the 30th ACM Conference on Hypertext and Social Media - HT '19}}, isbn = {{9781450368858}}, keywords = {{Knowledge Graphs, Ranking, RDF}}, pages = {{163--171}}, publisher = {{ACM}}, title = {{{Ranking on Very Large Knowledge Graphs}}}, doi = {{10.1145/3342220.3343660}}, year = {{2019}}, } @techreport{14902, author = {{Mair, Christina and Scheffler, Wolfram and Senger, Isabell and Sureth-Sloane, Caren}}, title = {{{Analyse der Veränderung der zwischenstaatlichen Gewinnaufteilung bei Einführung einer standardisierten Gewinnverteilungsmethode am Beispiel des Einsatzes von 3D-Druckern}}}, volume = {{42}}, year = {{2019}}, } @inproceedings{15011, author = {{Tornede, Alexander and Wever, Marcel Dominik and Hüllermeier, Eyke}}, booktitle = {{Proceedings - 29. Workshop Computational Intelligence, Dortmund, 28. - 29. November 2019}}, editor = {{Hoffmann, Frank and Hüllermeier, Eyke and Mikut, Ralf}}, isbn = {{978-3-7315-0979-0}}, location = {{Dortmund}}, pages = {{135--146}}, publisher = {{KIT Scientific Publishing, Karlsruhe}}, title = {{{Algorithm Selection as Recommendation: From Collaborative Filtering to Dyad Ranking}}}, year = {{2019}}, } @article{15028, abstract = {{Friction-spinning is an incremental forming process, which is accompanied by complex thermal and mechanical loads in the tool and the formed part. To influence the process temperature, two main process parameters, i.e. the rotation speed and the feed rate, can be adapted. With the objective to improve the tool performance and the quality of the workpiece, this study focuses on a coating concept for friction-spinning tools made of high speed steel (HS6 5 2C, 1.3343). On the one hand, atmospheric plasma sprayed (APS) Al2O3 and ZrO2-8Y2O3 coatings serve as a thermal insulator, and, on the other hand, physically vapor deposited (PVD) TiAlSi7.9N and CrAlSi7.5N films are applied to increase the hardness and wear resistance of the tools. In addition, duplex coatings, combining the APS and PVD technique, are synthesized to influence both the heat transfer and the tribological properties of friction-spinning tools. Subsequently, all coated tools are tested in a friction-spinning process to form flanges made of AW-6060 (AlMgSi 3.3206) tube materials. The tool temperatures are determined in-situ to investigate the impact of the tool coating on the process temperature. Compared to an uncoated tool, the alumina and zirconia coatings contribute to a reduction of the tool temperature by up to half, while the PVD films increase the hardness of the tool by 20 GPa. Furthermore, it is shown that the surface quality of thermally sprayed (TS) or PVD coated tools is directly related to the surface roughness of the resulting workpiece. }}, author = {{Tillmann, Wolfgang and Fehr, Alexander and Stangier, Dominic and Dildrop, Markus and Homberg, Werner and Lossen, Benjamin and Hijazi, Dina}}, issn = {{0944-6524}}, journal = {{Production Engineering}}, pages = {{449--457}}, title = {{{Al2O3/ZrO2-8Y2O3 and (Cr,Ti)AlSiN tool coatings to influence the temperature and surface quality in friction-spinning processes}}}, doi = {{10.1007/s11740-019-00899-y}}, year = {{2019}}, } @article{15031, author = {{Linnemann, M. and Psyk, V. and Djakow, Eugen and Springer, R. and Homberg, W. and Landgrebe, D.}}, issn = {{2351-9789}}, journal = {{Procedia Manufacturing}}, pages = {{21--26}}, title = {{{High-Speed Incremental Forming – New Technologies For Flexible Production Of Sheet Metal Parts}}}, doi = {{10.1016/j.promfg.2018.12.038}}, year = {{2019}}, } @article{16320, author = {{Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}}, issn = {{1089-5639}}, journal = {{The Journal of Physical Chemistry A}}, pages = {{3575--3581}}, title = {{{Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}}}, doi = {{10.1021/acs.jpca.9b00463}}, year = {{2019}}, } @phdthesis{16327, author = {{Müller, Patrick}}, title = {{{ Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]}}}, doi = {{10.17619/UNIPB/1-705}}, year = {{2019}}, }