@article{17068, author = {{Braun, Christian and Neufeld, Sergej and Gerstmann, Uwe and Sanna, S. and Plaickner, J. and Speiser, E. and Esser, N. and Schmidt, Wolf Gero}}, issn = {{0031-9007}}, journal = {{Physical Review Letters}}, number = {{14}}, title = {{{Vibration-Driven Self-Doping of Dangling-Bond Wires on Si(553)-Au Surfaces}}}, doi = {{10.1103/physrevlett.124.146802}}, volume = {{124}}, year = {{2020}}, } @article{19504, author = {{Dong, Chuan-Ding and Schumacher, Stefan}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{pc2-ressources}}, pages = {{30863--30870}}, title = {{{Molecular Doping of PCPDT–BT Copolymers: Comparison of Molecular Complexes with and without Integer Charge Transfer}}}, doi = {{10.1021/acs.jpcc.9b09970}}, year = {{2019}}, } @article{19513, author = {{Ma, Xuekai and Kartashov, Yaroslav Y and Gao, Tingge and Schumacher, Stefan}}, issn = {{1367-2630}}, journal = {{New Journal of Physics}}, keywords = {{pc2-ressources}}, title = {{{Controllable high-speed polariton waves in a PT-symmetric lattice}}}, doi = {{10.1088/1367-2630/ab5a9b}}, year = {{2019}}, } @unpublished{19523, abstract = {{We study the problem of learning choice functions, which play an important role in various domains of application, most notably in the field of economics. Formally, a choice function is a mapping from sets to sets: Given a set of choice alternatives as input, a choice function identifies a subset of most preferred elements. Learning choice functions from suitable training data comes with a number of challenges. For example, the sets provided as input and the subsets produced as output can be of any size. Moreover, since the order in which alternatives are presented is irrelevant, a choice function should be symmetric. Perhaps most importantly, choice functions are naturally context-dependent, in the sense that the preference in favor of an alternative may depend on what other options are available. We formalize the problem of learning choice functions and present two general approaches based on two representations of context-dependent utility functions. Both approaches are instantiated by means of appropriate neural network architectures, and their performance is demonstrated on suitable benchmark tasks.}}, author = {{Pfannschmidt, Karlson and Gupta, Pritha and Hüllermeier, Eyke}}, booktitle = {{arXiv:1901.10860}}, title = {{{Learning Choice Functions: Concepts and Architectures}}}, year = {{2019}}, } @article{3585, abstract = {{Existing approaches and tools for the generation of approximate circuits often lack generality and are restricted to certain circuit types, approximation techniques, and quality assurance methods. Moreover, only few tools are publicly available. This hinders the development and evaluation of new techniques for approximating circuits and their comparison to previous approaches. In this paper, we first analyze and classify related approaches and then present CIRCA, our flexible framework for search-based approximate circuit generation. CIRCA is developed with a focus on modularity and extensibility. We present the architecture of CIRCA with its clear separation into stages and functional blocks, report on the current prototype, and show initial experiments.}}, author = {{Witschen, Linus Matthias and Wiersema, Tobias and Ghasemzadeh Mohammadi, Hassan and Awais, Muhammad and Platzner, Marco}}, issn = {{0026-2714}}, journal = {{Microelectronics Reliability}}, keywords = {{Approximate Computing, Framework, Pareto Front, Accuracy}}, pages = {{277--290}}, publisher = {{Elsevier}}, title = {{{CIRCA: Towards a Modular and Extensible Framework for Approximate Circuit Generation}}}, doi = {{10.1016/j.microrel.2019.04.003}}, volume = {{99}}, year = {{2019}}, } @inproceedings{21524, abstract = {{For the measurement of process data in bioreactors, very small wireless sensors are currently under development to replace the conventional rod probes. The so-called Sens-o-Spheres measure the temperature and in future the oxygen content and the pH of fluids. In order to evaluate the distribution of the measured values within the process, it is necessary to locate the wireless sensors. Because of the small size of the sphere (diameter 8 mm), inhomogeneous ambient media and the size of the reactor (less than 2 m), an inductive locating by magnetic fields with a frequency of f = 13.56 MHz is necessary. Since the behaviour of the magnetic field is very different from that of the electromagnetic wave, new locating methods are required, which are presented in this paper.}}, author = {{Lange, Sven and Schröder, Dominik and Hedayat, Christian and Otto, Thomas and Hilleringmann, Ulrich}}, booktitle = {{2019 17th IEEE International New Circuits and Systems Conference (NEWCAS)}}, isbn = {{9781728110318}}, keywords = {{oxygen content, inhomogeneous ambient media, magnetic field, inductive locating method, miniaturized wireless sensors, inhomogeneous dielectrics, conventional rod probes, Sens-o-Spheres measure, frequency 13.56 MHz}}, location = {{Munich, Germany}}, title = {{{Inductive Locating Method to Locate Miniaturized Wireless Sensors within Inhomogeneous Dielectrics}}}, doi = {{10.1109/newcas44328.2019.8961227}}, year = {{2019}}, } @article{19446, abstract = {{We present a multi-channel database of overlapping speech for training, evaluation, and detailed analysis of source separation and extraction algorithms: SMS-WSJ -- Spatialized Multi-Speaker Wall Street Journal. It consists of artificially mixed speech taken from the WSJ database, but unlike earlier databases we consider all WSJ0+1 utterances and take care of strictly separating the speaker sets present in the training, validation and test sets. When spatializing the data we ensure a high degree of randomness w.r.t. room size, array center and rotation, as well as speaker position. Furthermore, this paper offers a critical assessment of recently proposed measures of source separation performance. Alongside the code to generate the database we provide a source separation baseline and a Kaldi recipe with competitive word error rates to provide common ground for evaluation.}}, author = {{Drude, Lukas and Heitkaemper, Jens and Boeddeker, Christoph and Haeb-Umbach, Reinhold}}, journal = {{ArXiv e-prints}}, title = {{{SMS-WSJ: Database, performance measures, and baseline recipe for multi-channel source separation and recognition}}}, year = {{2019}}, } @inproceedings{23969, author = {{Zibart, Alexander and Kenig, Eugeny}}, location = {{Dortmund}}, title = {{{Numerische Untersuchung des Eisbildungsprozesses auf der welligen Oberfläche von Kissenplatten}}}, year = {{2019}}, } @article{8667, author = {{Sprenger, Alexander and Hellebrand, Sybille}}, issn = {{0218-1266}}, journal = {{Journal of Circuits, Systems and Computers}}, number = {{1}}, pages = {{1--23}}, publisher = {{World Scientific Publishing Company}}, title = {{{Divide and Compact - Stochastic Space Compaction for Faster-than-At-Speed Test}}}, doi = {{10.1142/s0218126619400012}}, volume = {{28}}, year = {{2019}}, } @inproceedings{8868, author = {{Wever, Marcel Dominik and Mohr, Felix and Hüllermeier, Eyke and Hetzer, Alexander}}, location = {{Bayreuth, Germany}}, title = {{{Towards Automated Machine Learning for Multi-Label Classification}}}, year = {{2019}}, } @inproceedings{9718, author = {{Johannesmann, Sarah and Webersen, Manuel and Düchting, Julia and Claes, Leander and Henning, Bernd}}, booktitle = {{45th Annual Review of Progress in Quantitative Nondestructive Evaluation }}, location = {{Burlington}}, title = {{{Characterization of the linear-acoustic material behavior of fiber-reinforced composites using lamb waves}}}, doi = {{10.1063/1.5099742}}, volume = {{38}}, year = {{2019}}, } @inproceedings{16826, author = {{Camberg, Alan Adam and Hielscher, Christian}}, booktitle = {{Aachen Body Engineering Days 2019}}, location = {{Aachen}}, title = {{{A holistic approach to the lightweight design of tailored structural components using the example of a hybrid A-pillar}}}, year = {{2019}}, } @inproceedings{16827, author = {{Camberg, Alan Adam and Tröster, Thomas}}, booktitle = {{26. Sächsische Fachtagung Umformtechnik}}, location = {{Dresden}}, title = {{{Challenges in fracture modeling under non-isothermal forming conditions using the example of a new forming process for aluminum blanks}}}, year = {{2019}}, } @inproceedings{16831, author = {{Tinkloh, Steffen Rainer and Wu, Tao and Tröster, Thomas and Niendorf, Thomas}}, location = {{Wuhan}}, title = {{{A micromechanical based finite element simulation of process induced residual stresses in metal-CFRP-hybrid structures}}}, year = {{2019}}, } @unpublished{16853, abstract = {{State-of-the-art frameworks for generating approximate circuits usually rely on information gained through circuit synthesis and/or verification to explore the search space and to find an optimal solution. Throughout the process, a large number of circuits may be subject to processing, leading to considerable runtimes. In this work, we propose a search which takes error bounds and pre-computed impact factors into account to reduce the number of invoked synthesis and verification processes. In our experimental results, we achieved speed-ups of up to 76x while area savings remain comparable to the reference search method, simulated annealing.}}, author = {{Witschen, Linus Matthias and Ghasemzadeh Mohammadi, Hassan and Artmann, Matthias and Platzner, Marco}}, booktitle = {{Fourth Workshop on Approximate Computing (AxC 2019)}}, keywords = {{Approximate computing, parameter selection, search space exploration, verification, circuit synthesis}}, pages = {{2}}, title = {{{Jump Search: A Fast Technique for the Synthesis of Approximate Circuits}}}, year = {{2019}}, } @article{16955, author = {{Heinen, Matthias and Vrabec, Jadran}}, issn = {{0021-9606}}, journal = {{The Journal of Chemical Physics}}, keywords = {{pc2-ressources}}, title = {{{Evaporation sampled by stationary molecular dynamics simulation}}}, doi = {{10.1063/1.5111759}}, year = {{2019}}, } @article{16958, author = {{Fingerhut, Robin and Herres, Gerhard and Vrabec, Jadran}}, issn = {{0026-8976}}, journal = {{Molecular Physics}}, keywords = {{pc2-ressources}}, title = {{{Thermodynamic factor of quaternary mixtures from Kirkwood–Buff integration}}}, doi = {{10.1080/00268976.2019.1643046}}, year = {{2019}}, } @article{16960, author = {{Mennicken, Max and Peter, Sophia Katharina and Kaulen, Corinna and Simon, Ulrich and Karthäuser, Silvia}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{pc2-ressources}}, pages = {{21367--21375}}, title = {{{Controlling the Electronic Contact at the Terpyridine/Metal Interface}}}, doi = {{10.1021/acs.jpcc.9b05865}}, 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{10577, abstract = {{State-of-the-art frameworks for generating approximate circuits automatically explore the search space in an iterative process - often greedily. Synthesis and verification processes are invoked in each iteration to evaluate the found solutions and to guide the search algorithm. As a result, a large number of approximate circuits is subjected to analysis - leading to long runtimes - but only a few approximate circuits might form an acceptable solution. In this paper, we present our Jump Search (JS) method which seeks to reduce the runtime of an approximation process by reducing the number of expensive synthesis and verification steps. To reduce the runtime, JS computes impact factors for each approximation candidate in the circuit to create a selection of approximate circuits without invoking synthesis or verification processes. We denote the selection as path from which JS determines the final solution. In our experimental results, JS achieved speed-ups of up to 57x while area savings remain comparable to the reference search method, Simulated Annealing.}}, author = {{Witschen, Linus Matthias and Ghasemzadeh Mohammadi, Hassan and Artmann, Matthias and Platzner, Marco}}, booktitle = {{Proceedings of the 2019 on Great Lakes Symposium on VLSI - GLSVLSI '19}}, isbn = {{9781450362528}}, keywords = {{Approximate computing, design automation, parameter selection, circuit synthesis}}, location = {{Tysons Corner, VA, USA}}, publisher = {{ACM}}, title = {{{Jump Search: A Fast Technique for the Synthesis of Approximate Circuits}}}, doi = {{10.1145/3299874.3317998}}, year = {{2019}}, }