@article{33657, author = {{Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and Ghasemi, Alireza and Kühne, Thomas}}, issn = {{0927-0256}}, journal = {{Computational Materials Science}}, keywords = {{Computational Mathematics, General Physics and Astronomy, Mechanics of Materials, General Materials Science, General Chemistry, General Computer Science}}, publisher = {{Elsevier BV}}, title = {{{An automated approach for developing neural network interatomic potentials with FLAME}}}, doi = {{10.1016/j.commatsci.2021.110567}}, volume = {{197}}, year = {{2021}}, } @inproceedings{33654, author = {{Balos, Vasileios and Elgabarty, Hossam and Wolf, Martin and Kühne, Thomas and Netz, Roland and Bonthuis, Douwe Jan and Kaliannan, Naveen and Loche, Philip and Kampfrath, Tobias and Sajadi, Mohsen}}, booktitle = {{Terahertz Emitters, Receivers, and Applications XII}}, editor = {{Razeghi, Manijeh and Baranov, Alexei N.}}, publisher = {{SPIE}}, title = {{{Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields}}}, doi = {{10.1117/12.2594143}}, year = {{2021}}, } @article{33656, author = {{Wang, Mengying and Ranjbar, Ahmad and Kühne, Thomas and Belosludov, Rodion V. and Kawazoe, Yoshiyuki and Liang, Yunye}}, issn = {{0008-6223}}, journal = {{Carbon}}, keywords = {{General Chemistry, General Materials Science}}, pages = {{370--378}}, publisher = {{Elsevier BV}}, title = {{{A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states}}}, doi = {{10.1016/j.carbon.2021.05.026}}, volume = {{181}}, year = {{2021}}, } @article{33659, abstract = {{Abstract We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.}}, author = {{Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}}, issn = {{2515-7639}}, journal = {{Journal of Physics: Materials}}, keywords = {{Condensed Matter Physics, General Materials Science, Atomic and Molecular Physics, and Optics}}, number = {{1}}, publisher = {{IOP Publishing}}, title = {{{On topological materials as photocatalysts for water splitting by visible light}}}, doi = {{10.1088/2515-7639/ac363d}}, volume = {{5}}, year = {{2021}}, } @article{33668, abstract = {{AbstractVaccinations, lockdowns and testing strategies are three potential elements of an effective anti-coronavirus, and in particular Covid-19, health policy. The following analysis considers - within a simple model - the potentially crucial role of a Corona testing approach in combination with a quarantine approach which is shown herein to be a substitute for broad lockdown measures. The cost of lockdowns/shutdowns are rather high so that – beyond progress in terms of a broad vaccination program – a rational testing strategy should also be carefully considered. Testing has to be organized on the basis of an adequate testing infrastructure which could largely be implemented in firms, schools, universities and public administration settings. As regards the cost of a systematic broad Covid-19 testing strategy, these could come close to 0.5% of national income if there are no vaccinations. The Testing & Quarantine approach suggested here – with tests for symptomatic as well as asymptomatic people - is based on a random sampling and would require rather broad and frequent testing; possibly one test per person every 7–10 days. At the same time, one should consider that the cost of further lockdowns/shutdowns of a duration of 1 month could be very high, such that a standard cost benefit analysis supports the testing approach suggested herein. Also, an optimal policy mix could be designed where both vaccinations and testing play a crucial role. As of late January 2021, no further lockdowns in Germany and other OECD countries would be necessary if a broad testing infrastructure can be established rather quickly. This in turn will reinforce economic optimism and help to jumpstart economic growth in Europe, the US and Asia in a solid way. The basic logic of the testing approach pointed out here for industrialized countries could also be applied in developing countries. The approach presented is complementary to the IMF analysis of Cherif/Hasanov.}}, author = {{Gries, Thomas and Welfens, Paul J. J.}}, issn = {{1612-4804}}, journal = {{International Economics and Economic Policy}}, keywords = {{Economics and Econometrics}}, number = {{1}}, pages = {{1--24}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Testing as an approach to control the Corona epidemic dynamics and avoid lockdowns}}}, doi = {{10.1007/s10368-021-00495-5}}, volume = {{18}}, year = {{2021}}, } @article{33667, abstract = {{AbstractIn light of the COVID-19 pandemic, we scrutinize what has been established in the literature on whether entrepreneurship can cause and resolve extreme events, the immediate and long-run impacts of extreme events on entrepreneurship, and whether extreme events can positively impact (some) entrepreneurship and innovation. Based on this, we utilize a partial equilibrium model to provide several conjectures on the impact of COVID-19 on entrepreneurship, and to derive policy recommendations for recovery. We illustrate that while entrepreneurship recovery will benefit from measures such as direct subsidies for start-ups, firms’ revenue losses, and loan liabilities, it will also benefit from aggregate demand-side support and income redistribution measures, as well as from measures that facilitate the innovation-response to the Keynesian supply-shock caused by the pandemic, such as access to online retail and well-functioning global transportation and logistics.}}, author = {{Gries, Thomas and Naudé, Wim}}, issn = {{2511-1280}}, journal = {{Economics of Disasters and Climate Change}}, keywords = {{General Medicine}}, number = {{3}}, pages = {{329--353}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Extreme Events, Entrepreneurial Start-Ups, and Innovation: Theoretical Conjectures}}}, doi = {{10.1007/s41885-021-00089-0}}, volume = {{5}}, year = {{2021}}, } @article{33681, author = {{da Silva, Marcos A.R. and Silva, Ingrid F. and Xue, Qi and Lo, Benedict T.W. and Tarakina, Nadezda V. and Nunes, Barbara N. and Adler, Peter and Sahoo, Sudhir K. and Bahnemann, Detlef W. and López-Salas, Nieves and Savateev, Aleksandr and Ribeiro, Caue and Kühne, Thomas and Antonietti, Markus and Teixeira, Ivo F.}}, issn = {{0926-3373}}, journal = {{Applied Catalysis B: Environmental}}, keywords = {{Process Chemistry and Technology, General Environmental Science, Catalysis}}, publisher = {{Elsevier BV}}, title = {{{Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst}}}, doi = {{10.1016/j.apcatb.2021.120965}}, volume = {{304}}, year = {{2021}}, } @article{33675, abstract = {{The influence of different polymer side chains on the vapor phase infiltration with TMA is investigated and supported by DFT-calculations.}}, author = {{Mai, Lukas and Maniar, Dina and Zysk, Frederik and Schöbel, Judith and Kühne, Thomas and Loos, Katja and Devi, Anjana}}, issn = {{1477-9226}}, journal = {{Dalton Transactions}}, keywords = {{Inorganic Chemistry}}, number = {{4}}, pages = {{1384--1394}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum}}}, doi = {{10.1039/d1dt03753f}}, volume = {{51}}, year = {{2021}}, } @misc{27058, author = {{Wiecher, Carsten and Fischbach, Jannik and Greenyer, Joel and Vogelsang, Andreas and Wolff, Carsten and Dumitrescu, Roman}}, booktitle = {{arXiv preprint}}, title = {{{Integrated and Iterative Requirements Analysis and Test Specification: A Case Study at Kostal}}}, year = {{2021}}, } @inproceedings{29291, author = {{Zahera, Hamada Mohamed Abdelsamee and Heindorf, Stefan and Ngonga Ngomo, Axel-Cyrille}}, booktitle = {{Proceedings of the 11th on Knowledge Capture Conference}}, publisher = {{ACM}}, title = {{{ASSET: A Semi-supervised Approach for Entity Typing in Knowledge Graphs}}}, doi = {{10.1145/3460210.3493563}}, year = {{2021}}, } @inbook{29292, author = {{Feldhans, Robert and Wilke, Adrian and Heindorf, Stefan and Shaker, Mohammad Hossein and Hammer, Barbara and Ngonga Ngomo, Axel-Cyrille and Hüllermeier, Eyke}}, booktitle = {{Intelligent Data Engineering and Automated Learning – IDEAL 2021}}, isbn = {{9783030916077}}, issn = {{0302-9743}}, publisher = {{Springer International Publishing}}, title = {{{Drift Detection in Text Data with Document Embeddings}}}, doi = {{10.1007/978-3-030-91608-4_11}}, year = {{2021}}, } @inproceedings{29287, abstract = {{Knowledge graph embedding research has mainly focused on the two smallest normed division algebras, $\mathbb{R}$ and $\mathbb{C}$. Recent results suggest that trilinear products of quaternion-valued embeddings can be a more effective means to tackle link prediction. In addition, models based on convolutions on real-valued embeddings often yield state-of-the-art results for link prediction. In this paper, we investigate a composition of convolution operations with hypercomplex multiplications. We propose the four approaches QMult, OMult, ConvQ and ConvO to tackle the link prediction problem. QMult and OMult can be considered as quaternion and octonion extensions of previous state-of-the-art approaches, including DistMult and ComplEx. ConvQ and ConvO build upon QMult and OMult by including convolution operations in a way inspired by the residual learning framework. We evaluated our approaches on seven link prediction datasets including WN18RR, FB15K-237 and YAGO3-10. Experimental results suggest that the benefits of learning hypercomplex-valued vector representations become more apparent as the size and complexity of the knowledge graph grows. ConvO outperforms state-of-the-art approaches on FB15K-237 in MRR, Hit@1 and Hit@3, while QMult, OMult, ConvQ and ConvO outperform state-of-the-approaches on YAGO3-10 in all metrics. Results also suggest that link prediction performances can be further improved via prediction averaging. To foster reproducible research, we provide an open-source implementation of approaches, including training and evaluation scripts as well as pretrained models.}}, author = {{Demir, Caglar and Moussallem, Diego and Heindorf, Stefan and Ngonga Ngomo, Axel-Cyrille}}, booktitle = {{The 13th Asian Conference on Machine Learning, ACML 2021}}, title = {{{Convolutional Hypercomplex Embeddings for Link Prediction}}}, year = {{2021}}, } @inproceedings{29294, author = {{Nickchen, Tobias and Heindorf, Stefan and Engels, Gregor}}, booktitle = {{2021 IEEE Winter Conference on Applications of Computer Vision (WACV)}}, publisher = {{IEEE}}, title = {{{Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts}}}, doi = {{10.1109/wacv48630.2021.00204}}, year = {{2021}}, } @misc{33733, author = {{Heindorf, Stefan}}, title = {{{Automatically generating instructions from tutorials for search and user navigation}}}, year = {{2021}}, } @inproceedings{26407, author = {{Piskachev, Goran and Krishnamurthy, Ranjith and Bodden, Eric}}, booktitle = {{2021 IEEE 21st International Working Conference on Source Code Analysis and Manipulation (SCAM)}}, title = {{{SecuCheck: Engineering configurable taint analysis for software developers}}}, year = {{2021}}, } @inproceedings{22463, author = {{Luo, Linghui and Schäf, Martin and Sanchez, Daniel and Bodden, Eric}}, booktitle = {{Proceedings of the 29th ACM Joint Meeting on European Software Engineering Conference and Symposium on the Foundations of Software Engineering}}, title = {{{IDE Support for Cloud-Based Static Analyses}}}, year = {{2021}}, } @inproceedings{33840, author = {{Karakaya, Kadiray and Bodden, Eric}}, booktitle = {{2021 IEEE 21st International Working Conference on Source Code Analysis and Manipulation (SCAM)}}, pages = {{181–186}}, title = {{{SootFX: A Static Code Feature Extraction Tool for Java and Android}}}, year = {{2021}}, } @article{23728, abstract = {{We demonstrate the integration of amorphous tungsten silicide superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides. We show proof-of-principle detection of evanescently coupled photons of 1550 nm wavelength using bidirectional waveguide coupling for two orthogonal polarization directions. We investigate the internal detection efficiency as well as detector absorption using coupling-independent characterization measurements. Furthermore, we describe strategies to improve the yield and efficiency of these devices.}}, author = {{Höpker, Jan Philipp and Verma, Varun B and Protte, Maximilian and Ricken, Raimund and Quiring, Viktor and Eigner, Christof and Ebers, Lena and Hammer, Manfred and Förstner, Jens and Silberhorn, Christine and Mirin, Richard P and Woo Nam, Sae and Bartley, Tim}}, issn = {{2515-7647}}, journal = {{Journal of Physics: Photonics}}, pages = {{034022}}, title = {{{Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides}}}, doi = {{10.1088/2515-7647/ac105b}}, volume = {{3}}, year = {{2021}}, } @inproceedings{21509, author = {{Müller, Stefanie Jutta Marianne and Kundisch, Dennis}}, location = {{Virtual Conference/Workshop}}, title = {{{Gesellschaftliche Transformationen durch die Steigerung (popmusik)kultureller Teil-habe mittels innovativer Preiskonzepte – ein interdisziplinärer Literaturüberblick}}}, year = {{2021}}, } @article{33895, abstract = {{Heat-assisted forming processes are becoming increasingly important in the manufacturing of sheet metal parts for body-in-white applications. However, the non-isothermal nature of these processes leads to challenges in evaluating the forming limits, since established methods such as Forming Limit Curves (FLCs) only allow the assessment of critical forming strains for steady temperatures. For this reason, a temperature-dependent extension of the well-established GISSMO (Generalized Incremental Stress State Dependent Damage Model) fracture indicator framework is developed by the authors to predict forming failures under non-isothermal conditions. In this paper, a general approach to combine several isothermal FLCs within the temperature-extended GISSMO model into a temperature-dependent forming limit surface is investigated. The general capabilities of the model are tested in a coupled thermo-mechanical FEA using the example of warm forming of an AA5182-O sheet metal cross-die cup. The obtained results are then compared with state of the art of evaluation methods. By taking the strain and temperature path into account, GISSMO predicts greater drawing depths by up to 20% than established methods. In this way the forming and so the lightweight potential of sheet metal parts can by fully exploited. Moreover, the risk and locus of failure can be evaluated directly on the part geometry by a contour plot. An additional advantage of the GISSMO model is the applicability for low triaxialities as well as the possibility to predict the materials behavior beyond necking up to ductile fracture.}}, author = {{Camberg, Alan Adam and Erhart, Tobias and Tröster, Thomas}}, issn = {{1996-1944}}, journal = {{Materials}}, keywords = {{General Materials Science}}, number = {{17}}, publisher = {{MDPI AG}}, title = {{{A Generalized Stress State and Temperature Dependent Damage Indicator Framework for Ductile Failure Prediction in Heat-Assisted Forming Operations}}}, doi = {{10.3390/ma14175106}}, volume = {{14}}, year = {{2021}}, }