[{"citation":{"ama":"Mirhosseini SH, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M, Kühne T. In silico investigation of Cu(In,Ga)Se2-based solar cells. Phys Chem Chem Phys. 2020;22:26682-26701. doi:10.1039/D0CP04712K","ieee":"S. H. Mirhosseini, R. Kormath Madam Raghupathy, S. K. Sahoo, H. Wiebeler, M. Chugh, and T. Kühne, “In silico investigation of Cu(In,Ga)Se2-based solar cells,” Phys. Chem. Chem. Phys., vol. 22, pp. 26682–26701, 2020, doi: 10.1039/D0CP04712K.","chicago":"Mirhosseini, S. Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo, Hendrik Wiebeler, Manjusha Chugh, and Thomas Kühne. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Phys. Chem. Chem. Phys. 22 (2020): 26682–701. https://doi.org/10.1039/D0CP04712K.","mla":"Mirhosseini, S. Hossein, et al. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Phys. Chem. Chem. Phys., vol. 22, The Royal Society of Chemistry, 2020, pp. 26682–701, doi:10.1039/D0CP04712K.","short":"S.H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M. Chugh, T. Kühne, Phys. Chem. Chem. Phys. 22 (2020) 26682–26701.","bibtex":"@article{Mirhosseini_Kormath Madam Raghupathy_Sahoo_Wiebeler_Chugh_Kühne_2020, title={In silico investigation of Cu(In,Ga)Se2-based solar cells}, volume={22}, DOI={10.1039/D0CP04712K}, journal={Phys. Chem. Chem. Phys.}, publisher={The Royal Society of Chemistry}, author={Mirhosseini, S. Hossein and Kormath Madam Raghupathy, Ramya and Sahoo, Sudhir K. and Wiebeler, Hendrik and Chugh, Manjusha and Kühne, Thomas}, year={2020}, pages={26682–26701} }","apa":"Mirhosseini, S. H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H., Chugh, M., & Kühne, T. (2020). In silico investigation of Cu(In,Ga)Se2-based solar cells. Phys. Chem. Chem. Phys., 22, 26682–26701. https://doi.org/10.1039/D0CP04712K"},"intvolume":" 22","page":"26682-26701","year":"2020","doi":"10.1039/D0CP04712K","title":"In silico investigation of Cu(In,Ga)Se2-based solar cells","date_created":"2021-01-29T15:21:45Z","author":[{"last_name":"Mirhosseini","orcid":"0000-0001-6179-1545","full_name":"Mirhosseini, S. Hossein","id":"71051","first_name":"S. Hossein"},{"id":"71692","full_name":"Kormath Madam Raghupathy, Ramya","orcid":"https://orcid.org/0000-0003-4667-9744","last_name":"Kormath Madam Raghupathy","first_name":"Ramya"},{"last_name":"Sahoo","full_name":"Sahoo, Sudhir K.","first_name":"Sudhir K."},{"full_name":"Wiebeler, Hendrik","last_name":"Wiebeler","first_name":"Hendrik"},{"last_name":"Chugh","full_name":"Chugh, Manjusha","id":"71511","first_name":"Manjusha"},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"}],"volume":22,"date_updated":"2022-07-21T09:34:02Z","publisher":"The Royal Society of Chemistry","status":"public","abstract":[{"text":"Photovoltaics is one of the most promising and fastest-growing renewable energy technologies. Although the price-performance ratio of solar cells has improved significantly over recent years{,} further systematic investigations are needed to achieve higher performance and lower cost for future solar cells. In conjunction with experiments{,} computer simulations are powerful tools to investigate the thermodynamics and kinetics of solar cells. Over the last few years{,} we have developed and employed advanced computational techniques to gain a better understanding of solar cells based on copper indium gallium selenide (Cu(In{,}Ga)Se2). Furthermore{,} we have utilized state-of-the-art data-driven science and machine learning for the development of photovoltaic materials. In this Perspective{,} we review our results along with a survey of the field.","lang":"eng"}],"type":"journal_article","publication":"Phys. Chem. Chem. Phys.","language":[{"iso":"eng"}],"user_id":"71051","department":[{"_id":"304"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"21112"},{"volume":142,"author":[{"first_name":"Minghao","last_name":"Yu","full_name":"Yu, Minghao"},{"full_name":"Chandrasekhar, Naisa","last_name":"Chandrasekhar","first_name":"Naisa"},{"last_name":"Kormath Madam Raghupathy","orcid":"https://orcid.org/0000-0003-4667-9744","full_name":"Kormath Madam Raghupathy, Ramya","id":"71692","first_name":"Ramya"},{"first_name":"Khoa Hoang","last_name":"Ly","full_name":"Ly, Khoa Hoang"},{"last_name":"Zhang","full_name":"Zhang, Haozhe","first_name":"Haozhe"},{"first_name":"Evgenia","last_name":"Dmitrieva","full_name":"Dmitrieva, Evgenia"},{"full_name":"Liang, Chaolun","last_name":"Liang","first_name":"Chaolun"},{"last_name":"Lu","full_name":"Lu, Xihong","first_name":"Xihong"},{"last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas"},{"first_name":"S. Hossein","orcid":"0000-0001-6179-1545","last_name":"Mirhosseini","id":"71051","full_name":"Mirhosseini, S. Hossein"},{"first_name":"Inez M.","last_name":"Weidinger","full_name":"Weidinger, Inez M."},{"last_name":"Feng","full_name":"Feng, Xinliang","first_name":"Xinliang"}],"date_created":"2021-02-16T11:28:04Z","date_updated":"2022-07-21T09:38:24Z","publisher":"American Chemical Society","doi":"10.1021/jacs.0c07992","title":"A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices","issue":"46","publication_identifier":{"issn":["0002-7863"]},"intvolume":" 142","page":"19570-19578","citation":{"apa":"Yu, M., Chandrasekhar, N., Kormath Madam Raghupathy, R., Ly, K. H., Zhang, H., Dmitrieva, E., Liang, C., Lu, X., Kühne, T., Mirhosseini, S. H., Weidinger, I. M., & Feng, X. (2020). A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices. Journal of the American Chemical Society, 142(46), 19570–19578. https://doi.org/10.1021/jacs.0c07992","bibtex":"@article{Yu_Chandrasekhar_Kormath Madam Raghupathy_Ly_Zhang_Dmitrieva_Liang_Lu_Kühne_Mirhosseini_et al._2020, title={A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices}, volume={142}, DOI={10.1021/jacs.0c07992}, number={46}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society}, author={Yu, Minghao and Chandrasekhar, Naisa and Kormath Madam Raghupathy, Ramya and Ly, Khoa Hoang and Zhang, Haozhe and Dmitrieva, Evgenia and Liang, Chaolun and Lu, Xihong and Kühne, Thomas and Mirhosseini, S. Hossein and et al.}, year={2020}, pages={19570–19578} }","mla":"Yu, Minghao, et al. “A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices.” Journal of the American Chemical Society, vol. 142, no. 46, American Chemical Society, 2020, pp. 19570–78, doi:10.1021/jacs.0c07992.","short":"M. Yu, N. Chandrasekhar, R. Kormath Madam Raghupathy, K.H. Ly, H. Zhang, E. Dmitrieva, C. Liang, X. Lu, T. Kühne, S.H. Mirhosseini, I.M. Weidinger, X. Feng, Journal of the American Chemical Society 142 (2020) 19570–19578.","ama":"Yu M, Chandrasekhar N, Kormath Madam Raghupathy R, et al. A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices. Journal of the American Chemical Society. 2020;142(46):19570-19578. doi:10.1021/jacs.0c07992","ieee":"M. Yu et al., “A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices,” Journal of the American Chemical Society, vol. 142, no. 46, pp. 19570–19578, 2020, doi: 10.1021/jacs.0c07992.","chicago":"Yu, Minghao, Naisa Chandrasekhar, Ramya Kormath Madam Raghupathy, Khoa Hoang Ly, Haozhe Zhang, Evgenia Dmitrieva, Chaolun Liang, et al. “A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices.” Journal of the American Chemical Society 142, no. 46 (2020): 19570–78. https://doi.org/10.1021/jacs.0c07992."},"year":"2020","department":[{"_id":"304"}],"user_id":"71051","_id":"21240","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"Rechargeable aqueous Zn-ion energy storage devices are promising candidates for next-generation energy storage technologies. However, the lack of highly reversible Zn2+-storage anode materials with low potential windows remains a primary concern. Here, we report a two-dimensional polyarylimide covalent organic framework (PI-COF) anode with high-kinetics Zn2+-storage capability. The well-organized pore channels of PI-COF allow the high accessibility of the build-in redox-active carbonyl groups and efficient ion diffusion with a low energy barrier. The constructed PI-COF anode exhibits a specific capacity (332 C g–1 or 92 mAh g–1 at 0.7 A g–1), a high rate capability (79.8% at 7 A g–1), and a long cycle life (85% over 4000 cycles). In situ Raman investigation and first-principle calculations clarify the two-step Zn2+-storage mechanism, in which imide carbonyl groups reversibly form negatively charged enolates. Dendrite-free full Zn-ion devices are fabricated by coupling PI-COF anodes with MnO2 cathodes, delivering excellent energy densities (23.9 ∼ 66.5 Wh kg–1) and supercapacitor-level power densities (133 ∼ 4782 W kg–1). This study demonstrates the feasibility of covalent organic framework as Zn2+-storage anodes and shows a promising prospect for constructing reliable aqueous energy storage devices."}]},{"title":"Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy","doi":"10.1039/C9CP06568G","publisher":"The Royal Society of Chemistry","date_updated":"2022-07-21T09:37:51Z","volume":22,"author":[{"first_name":"Josefa","full_name":"Ibaceta-Jaña, Josefa","last_name":"Ibaceta-Jaña"},{"first_name":"Ruslan","last_name":"Muydinov","full_name":"Muydinov, Ruslan"},{"first_name":"Pamela","full_name":"Rosado, Pamela","last_name":"Rosado"},{"first_name":"Hossein","orcid":"https://orcid.org/0000-0001-6179-1545","last_name":"Mirhosseini","full_name":"Mirhosseini, Hossein","id":"71051"},{"first_name":"Manjusha","last_name":"Chugh","id":"71511","full_name":"Chugh, Manjusha"},{"full_name":"Nazarenko, Olga","last_name":"Nazarenko","first_name":"Olga"},{"full_name":"Dirin, Dmitry N.","last_name":"Dirin","first_name":"Dmitry N."},{"full_name":"Heinrich, Dirk","last_name":"Heinrich","first_name":"Dirk"},{"first_name":"Markus R.","full_name":"Wagner, Markus R.","last_name":"Wagner"},{"first_name":"Thomas","last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas"},{"first_name":"Bernd","last_name":"Szyszka","full_name":"Szyszka, Bernd"},{"last_name":"Kovalenko","full_name":"Kovalenko, Maksym V.","first_name":"Maksym V."},{"last_name":"Hoffmann","full_name":"Hoffmann, Axel","first_name":"Axel"}],"date_created":"2020-07-14T09:10:16Z","year":"2020","page":"5604-5614","intvolume":" 22","citation":{"chicago":"Ibaceta-Jaña, Josefa, Ruslan Muydinov, Pamela Rosado, Hossein Mirhosseini, Manjusha Chugh, Olga Nazarenko, Dmitry N. Dirin, et al. “Vibrational Dynamics in Lead Halide Hybrid Perovskites Investigated by Raman Spectroscopy.” Phys. Chem. Chem. Phys. 22 (2020): 5604–14. https://doi.org/10.1039/C9CP06568G.","ieee":"J. Ibaceta-Jaña et al., “Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy,” Phys. Chem. Chem. Phys., vol. 22, pp. 5604–5614, 2020, doi: 10.1039/C9CP06568G.","ama":"Ibaceta-Jaña J, Muydinov R, Rosado P, et al. Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy. Phys Chem Chem Phys. 2020;22:5604-5614. doi:10.1039/C9CP06568G","bibtex":"@article{Ibaceta-Jaña_Muydinov_Rosado_Mirhosseini_Chugh_Nazarenko_Dirin_Heinrich_Wagner_Kühne_et al._2020, title={Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy}, volume={22}, DOI={10.1039/C9CP06568G}, journal={Phys. Chem. Chem. Phys.}, publisher={The Royal Society of Chemistry}, author={Ibaceta-Jaña, Josefa and Muydinov, Ruslan and Rosado, Pamela and Mirhosseini, Hossein and Chugh, Manjusha and Nazarenko, Olga and Dirin, Dmitry N. and Heinrich, Dirk and Wagner, Markus R. and Kühne, Thomas and et al.}, year={2020}, pages={5604–5614} }","mla":"Ibaceta-Jaña, Josefa, et al. “Vibrational Dynamics in Lead Halide Hybrid Perovskites Investigated by Raman Spectroscopy.” Phys. Chem. Chem. Phys., vol. 22, The Royal Society of Chemistry, 2020, pp. 5604–14, doi:10.1039/C9CP06568G.","short":"J. Ibaceta-Jaña, R. Muydinov, P. Rosado, H. Mirhosseini, M. Chugh, O. Nazarenko, D.N. Dirin, D. Heinrich, M.R. Wagner, T. Kühne, B. Szyszka, M.V. Kovalenko, A. Hoffmann, Phys. Chem. Chem. Phys. 22 (2020) 5604–5614.","apa":"Ibaceta-Jaña, J., Muydinov, R., Rosado, P., Mirhosseini, H., Chugh, M., Nazarenko, O., Dirin, D. N., Heinrich, D., Wagner, M. R., Kühne, T., Szyszka, B., Kovalenko, M. V., & Hoffmann, A. (2020). Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy. Phys. Chem. Chem. Phys., 22, 5604–5614. https://doi.org/10.1039/C9CP06568G"},"language":[{"iso":"eng"}],"_id":"17374","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"304"}],"user_id":"71051","abstract":[{"lang":"eng","text":"Lead halide perovskite semiconductors providing record efficiencies of solar cells have usually mixed compositions doped in A- and X-sites to enhance the phase stability. The cubic form of formamidinium (FA) lead iodide reveals excellent opto-electronic properties but transforms at room temperature (RT) into a hexagonal structure which does not effectively absorb visible light. This metastable form and the mechanism of its stabilization by Cs+ and Br− incorporation are poorly characterized and insufficiently understood. We report here the vibrational properties of cubic FAPbI3 investigated by DFT calculations on phonon frequencies and intensities, and micro-Raman spectroscopy. The effects of Cs+ and Br− partial substitution are discussed. We support our results with the study of FAPbBr3 which expands the identification of vibrational modes to the previously unpublished low frequency region (<500 cm−1). Our results show that the incorporation of Cs+ and Br− leads to the coupling of the displacement of the A-site components and weakens the bonds between FA+ and the PbX6 octahedra. We suggest that the enhancement of α-FAPbI3 stability can be a product of the release of tensile stresses in the Pb–X bond, which is reflected in a red-shift of the low frequency region of the Raman spectrum (<200 cm−1)."}],"status":"public","publication":"Phys. Chem. Chem. Phys.","type":"journal_article"},{"year":"2020","citation":{"bibtex":"@article{Schöppe_Schönherr_Chugh_Mirhosseini_Jackson_Wuerz_Ritzer_Johannes_Martínez-Criado_Wisniewski_et al._2020, title={Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells}, volume={71}, DOI={https://doi.org/10.1016/j.nanoen.2020.104622}, journal={Nano Energy}, author={Schöppe, Philipp and Schönherr, Sven and Chugh, Manjusha and Mirhosseini, Hossein and Jackson, Philip and Wuerz, Roland and Ritzer, Maurizio and Johannes, Andreas and Martínez-Criado, Gema and Wisniewski, Wolfgang and et al.}, year={2020}, pages={104622} }","mla":"Schöppe, Philipp, et al. “Revealing the Origin of the Beneficial Effect of Cesium in Highly Efficient Cu(In,Ga)Se2 Solar Cells.” Nano Energy, vol. 71, 2020, p. 104622, doi:https://doi.org/10.1016/j.nanoen.2020.104622.","short":"P. Schöppe, S. Schönherr, M. Chugh, H. Mirhosseini, P. Jackson, R. Wuerz, M. Ritzer, A. Johannes, G. Martínez-Criado, W. Wisniewski, T. Schwarz, C. T. Plass, M. Hafermann, T. Kühne, C. S. Schnohr, C. Ronning, Nano Energy 71 (2020) 104622.","apa":"Schöppe, P., Schönherr, S., Chugh, M., Mirhosseini, H., Jackson, P., Wuerz, R., Ritzer, M., Johannes, A., Martínez-Criado, G., Wisniewski, W., Schwarz, T., T. Plass, C., Hafermann, M., Kühne, T., S. Schnohr, C., & Ronning, C. (2020). Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells. Nano Energy, 71, 104622. https://doi.org/10.1016/j.nanoen.2020.104622","chicago":"Schöppe, Philipp, Sven Schönherr, Manjusha Chugh, Hossein Mirhosseini, Philip Jackson, Roland Wuerz, Maurizio Ritzer, et al. “Revealing the Origin of the Beneficial Effect of Cesium in Highly Efficient Cu(In,Ga)Se2 Solar Cells.” Nano Energy 71 (2020): 104622. https://doi.org/10.1016/j.nanoen.2020.104622.","ieee":"P. Schöppe et al., “Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells,” Nano Energy, vol. 71, p. 104622, 2020, doi: https://doi.org/10.1016/j.nanoen.2020.104622.","ama":"Schöppe P, Schönherr S, Chugh M, et al. Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells. Nano Energy. 2020;71:104622. doi:https://doi.org/10.1016/j.nanoen.2020.104622"},"page":"104622","intvolume":" 71","publication_identifier":{"issn":["2211-2855"]},"title":"Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells","doi":"https://doi.org/10.1016/j.nanoen.2020.104622","date_updated":"2022-07-21T09:46:46Z","author":[{"full_name":"Schöppe, Philipp","last_name":"Schöppe","first_name":"Philipp"},{"last_name":"Schönherr","full_name":"Schönherr, Sven","first_name":"Sven"},{"first_name":"Manjusha","id":"71511","full_name":"Chugh, Manjusha","last_name":"Chugh"},{"first_name":"Hossein","last_name":"Mirhosseini","orcid":"https://orcid.org/0000-0001-6179-1545","id":"71051","full_name":"Mirhosseini, Hossein"},{"last_name":"Jackson","full_name":"Jackson, Philip","first_name":"Philip"},{"last_name":"Wuerz","full_name":"Wuerz, Roland","first_name":"Roland"},{"full_name":"Ritzer, Maurizio","last_name":"Ritzer","first_name":"Maurizio"},{"first_name":"Andreas","full_name":"Johannes, Andreas","last_name":"Johannes"},{"first_name":"Gema","last_name":"Martínez-Criado","full_name":"Martínez-Criado, Gema"},{"first_name":"Wolfgang","last_name":"Wisniewski","full_name":"Wisniewski, Wolfgang"},{"first_name":"Torsten","last_name":"Schwarz","full_name":"Schwarz, Torsten"},{"first_name":"Christian","last_name":"T. Plass","full_name":"T. Plass, Christian"},{"first_name":"Martin","last_name":"Hafermann","full_name":"Hafermann, Martin"},{"id":"49079","full_name":"Kühne, Thomas","last_name":"Kühne","first_name":"Thomas"},{"first_name":"Claudia","last_name":"S. Schnohr","full_name":"S. Schnohr, Claudia"},{"full_name":"Ronning, Carsten","last_name":"Ronning","first_name":"Carsten"}],"date_created":"2020-07-14T09:15:14Z","volume":71,"abstract":[{"text":"The record conversion efficiency of thin-film solar cells based on Cu(In,Ga)Se2 (CIGS) absorbers has exceeded 23%. Such a high performance is currently only attainable by the incorporation of heavy alkali metals like Cs into the absorber through an alkali fluoride post-deposition treatment (PDT). As the effect of the incorporated heavy alkali metals is under discussion, we investigated the local composition and microstructure of high efficiency CIGS solar cells via various high-resolution techniques in a combinatory approach. An accumulation of Cs is clearly detected at the p-n junction along with variations in the local CIGS composition, showing the formation of a beneficial secondary phase with a laterally inhomogeneous distribution. Additionally, Cs accumulations were detected at grain boundaries with a random misorientation of the adjacent grains where a reduced Cu concentration and increased In and Se concentrations are detected. No accumulation was found at Σ3 twin boundaries as well as the grain interior. These experimental findings are in excellent agreement with complementary ab-initio calculations, demonstrating that the grain boundaries are passivated by the presence of Cs. Further, it is unlikely that Cs with its large ionic radius is incorporated into the CIGS grains where it would cause detrimental defects.","lang":"eng"}],"status":"public","type":"journal_article","publication":"Nano Energy","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"17376","user_id":"71051","department":[{"_id":"304"}]},{"quality_controlled":"1","year":"2020","date_created":"2020-11-25T14:56:53Z","title":"Demystifying TasNet: A Dissecting Approach","publication":"ICASSP 2020 Virtual Barcelona Spain","abstract":[{"lang":"eng","text":"In recent years time domain speech separation has excelled over frequency domain separation in single channel scenarios and noise-free environments. In this paper we dissect the gains of the time-domain audio separation network (TasNet) approach by gradually replacing components of an utterance-level permutation invariant training (u-PIT) based separation system in the frequency domain until the TasNet system is reached, thus blending components of frequency domain approaches with those of time domain approaches. Some of the intermediate variants achieve comparable signal-to-distortion ratio (SDR) gains to TasNet, but retain the advantage of frequency domain processing: compatibility with classic signal processing tools such as frequency-domain beamforming and the human interpretability of the masks. Furthermore, we show that the scale invariant signal-to-distortion ratio (si-SDR) criterion used as loss function in TasNet is related to a logarithmic mean square error criterion and that it is this criterion which contributes most reliable to the performance advantage of TasNet. Finally, we critically assess which gains in a noise-free single channel environment generalize to more realistic reverberant conditions."}],"file":[{"file_size":3871374,"file_name":"ms.pdf","file_id":"20699","access_level":"closed","date_updated":"2020-12-11T12:36:37Z","date_created":"2020-12-11T12:36:37Z","creator":"jensheit","success":1,"relation":"main_file","content_type":"application/pdf"}],"keyword":["voice activity detection","speech activity detection","neural network","statistical speech processing"],"ddc":["000"],"language":[{"iso":"eng"}],"has_accepted_license":"1","citation":{"ieee":"J. Heitkaemper, D. Jakobeit, C. Boeddeker, L. Drude, and R. Haeb-Umbach, “Demystifying TasNet: A Dissecting Approach,” 2020.","chicago":"Heitkaemper, Jens, Darius Jakobeit, Christoph Boeddeker, Lukas Drude, and Reinhold Haeb-Umbach. “Demystifying TasNet: A Dissecting Approach.” In ICASSP 2020 Virtual Barcelona Spain, 2020.","ama":"Heitkaemper J, Jakobeit D, Boeddeker C, Drude L, Haeb-Umbach R. Demystifying TasNet: A Dissecting Approach. In: ICASSP 2020 Virtual Barcelona Spain. ; 2020.","apa":"Heitkaemper, J., Jakobeit, D., Boeddeker, C., Drude, L., & Haeb-Umbach, R. (2020). Demystifying TasNet: A Dissecting Approach. ICASSP 2020 Virtual Barcelona Spain.","bibtex":"@inproceedings{Heitkaemper_Jakobeit_Boeddeker_Drude_Haeb-Umbach_2020, title={Demystifying TasNet: A Dissecting Approach}, booktitle={ICASSP 2020 Virtual Barcelona Spain}, author={Heitkaemper, Jens and Jakobeit, Darius and Boeddeker, Christoph and Drude, Lukas and Haeb-Umbach, Reinhold}, year={2020} }","short":"J. Heitkaemper, D. Jakobeit, C. Boeddeker, L. Drude, R. Haeb-Umbach, in: ICASSP 2020 Virtual Barcelona Spain, 2020.","mla":"Heitkaemper, Jens, et al. “Demystifying TasNet: A Dissecting Approach.” ICASSP 2020 Virtual Barcelona Spain, 2020."},"date_updated":"2022-01-13T08:47:32Z","author":[{"first_name":"Jens","full_name":"Heitkaemper, Jens","id":"27643","last_name":"Heitkaemper"},{"last_name":"Jakobeit","full_name":"Jakobeit, Darius","first_name":"Darius"},{"full_name":"Boeddeker, Christoph","id":"40767","last_name":"Boeddeker","first_name":"Christoph"},{"first_name":"Lukas","last_name":"Drude","full_name":"Drude, Lukas"},{"last_name":"Haeb-Umbach","full_name":"Haeb-Umbach, Reinhold","id":"242","first_name":"Reinhold"}],"type":"conference","status":"public","_id":"20504","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"54"}],"user_id":"40767","file_date_updated":"2020-12-11T12:36:37Z"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"20141","user_id":"11871","department":[{"_id":"574"}],"language":[{"iso":"eng"}],"type":"conference","publication":"Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020)","status":"public","date_updated":"2022-10-15T19:57:01Z","oa":"1","author":[{"orcid":"0000-0002-4525-6865","last_name":"Heindorf","full_name":"Heindorf, Stefan","id":"11871","first_name":"Stefan"},{"full_name":"Scholten, Yan","last_name":"Scholten","first_name":"Yan"},{"id":"3900","full_name":"Wachsmuth, Henning","last_name":"Wachsmuth","first_name":"Henning"},{"first_name":"Axel-Cyrille","last_name":"Ngonga Ngomo","id":"65716","full_name":"Ngonga Ngomo, Axel-Cyrille"},{"first_name":"Martin","last_name":"Potthast","full_name":"Potthast, Martin"}],"date_created":"2020-10-20T13:11:14Z","title":"CauseNet: Towards a Causality Graph Extracted from the Web","main_file_link":[{"url":"https://papers.dice-research.org/2020/CIKM-20/heindorf_2020a_public.pdf","open_access":"1"}],"doi":"10.1145/3340531.3412763","year":"2020","citation":{"apa":"Heindorf, S., Scholten, Y., Wachsmuth, H., Ngonga Ngomo, A.-C., & Potthast, M. (2020). CauseNet: Towards a Causality Graph Extracted from the Web. Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020), 3023–3030. https://doi.org/10.1145/3340531.3412763","mla":"Heindorf, Stefan, et al. “CauseNet: Towards a Causality Graph Extracted from the Web.” Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020), 2020, pp. 3023–30, doi:10.1145/3340531.3412763.","short":"S. Heindorf, Y. Scholten, H. Wachsmuth, A.-C. Ngonga Ngomo, M. Potthast, in: Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020), 2020, pp. 3023–3030.","bibtex":"@inproceedings{Heindorf_Scholten_Wachsmuth_Ngonga Ngomo_Potthast_2020, title={CauseNet: Towards a Causality Graph Extracted from the Web}, DOI={10.1145/3340531.3412763}, booktitle={Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020)}, author={Heindorf, Stefan and Scholten, Yan and Wachsmuth, Henning and Ngonga Ngomo, Axel-Cyrille and Potthast, Martin}, year={2020}, pages={3023–3030} }","ieee":"S. Heindorf, Y. Scholten, H. Wachsmuth, A.-C. Ngonga Ngomo, and M. Potthast, “CauseNet: Towards a Causality Graph Extracted from the Web,” in Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020), 2020, pp. 3023–3030, doi: 10.1145/3340531.3412763.","chicago":"Heindorf, Stefan, Yan Scholten, Henning Wachsmuth, Axel-Cyrille Ngonga Ngomo, and Martin Potthast. “CauseNet: Towards a Causality Graph Extracted from the Web.” In Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020), 3023–30, 2020. https://doi.org/10.1145/3340531.3412763.","ama":"Heindorf S, Scholten Y, Wachsmuth H, Ngonga Ngomo A-C, Potthast M. CauseNet: Towards a Causality Graph Extracted from the Web. In: Proceedings of the 28th ACM International Conference on Information and Knowledge Management (CIKM 2020). ; 2020:3023-3030. doi:10.1145/3340531.3412763"},"page":"3023-3030"},{"type":"conference","publication":"INTERSPEECH 2020 Virtual Shanghai China","abstract":[{"lang":"eng","text":"Speech activity detection (SAD), which often rests on the fact that the noise is \"more'' stationary than speech, is particularly challenging in non-stationary environments, because the time variance of the acoustic scene makes it difficult to discriminate speech from noise. We propose two approaches to SAD, where one is based on statistical signal processing, while the other utilizes neural networks. The former employs sophisticated signal processing to track the noise and speech energies and is meant to support the case for a resource efficient, unsupervised signal processing approach.\r\nThe latter introduces a recurrent network layer that operates on short segments of the input speech to do temporal smoothing in the presence of non-stationary noise. The systems are tested on the Fearless Steps challenge database, which consists of the transmission data from the Apollo-11 space mission.\r\nThe statistical SAD achieves comparable detection performance to earlier proposed neural network based SADs, while the neural network based approach leads to a decision cost function of 1.07% on the evaluation set of the 2020 Fearless Steps Challenge, which sets a new state of the art."}],"file":[{"file_size":998706,"file_name":"ms.pdf","access_level":"closed","file_id":"20697","date_updated":"2020-12-11T12:33:04Z","date_created":"2020-12-11T12:33:04Z","creator":"jensheit","success":1,"relation":"main_file","content_type":"application/pdf"}],"status":"public","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"20505","user_id":"460","department":[{"_id":"54"}],"ddc":["000"],"keyword":["voice activity detection","speech activity detection","neural network","statistical speech processing"],"file_date_updated":"2020-12-11T12:33:04Z","language":[{"iso":"eng"}],"has_accepted_license":"1","year":"2020","citation":{"chicago":"Heitkaemper, Jens, Joerg Schmalenstroeer, and Reinhold Haeb-Umbach. “Statistical and Neural Network Based Speech Activity Detection in Non-Stationary Acoustic Environments.” In INTERSPEECH 2020 Virtual Shanghai China, 2020.","ieee":"J. Heitkaemper, J. Schmalenstroeer, and R. Haeb-Umbach, “Statistical and Neural Network Based Speech Activity Detection in Non-Stationary Acoustic Environments,” 2020.","ama":"Heitkaemper J, Schmalenstroeer J, Haeb-Umbach R. Statistical and Neural Network Based Speech Activity Detection in Non-Stationary Acoustic Environments. In: INTERSPEECH 2020 Virtual Shanghai China. ; 2020.","apa":"Heitkaemper, J., Schmalenstroeer, J., & Haeb-Umbach, R. (2020). Statistical and Neural Network Based Speech Activity Detection in Non-Stationary Acoustic Environments. INTERSPEECH 2020 Virtual Shanghai China.","mla":"Heitkaemper, Jens, et al. “Statistical and Neural Network Based Speech Activity Detection in Non-Stationary Acoustic Environments.” INTERSPEECH 2020 Virtual Shanghai China, 2020.","bibtex":"@inproceedings{Heitkaemper_Schmalenstroeer_Haeb-Umbach_2020, title={Statistical and Neural Network Based Speech Activity Detection in Non-Stationary Acoustic Environments}, booktitle={INTERSPEECH 2020 Virtual Shanghai China}, author={Heitkaemper, Jens and Schmalenstroeer, Joerg and Haeb-Umbach, Reinhold}, year={2020} }","short":"J. Heitkaemper, J. Schmalenstroeer, R. Haeb-Umbach, in: INTERSPEECH 2020 Virtual Shanghai China, 2020."},"date_updated":"2023-10-26T08:28:49Z","author":[{"last_name":"Heitkaemper","id":"27643","full_name":"Heitkaemper, Jens","first_name":"Jens"},{"first_name":"Joerg","last_name":"Schmalenstroeer","full_name":"Schmalenstroeer, Joerg","id":"460"},{"first_name":"Reinhold","full_name":"Haeb-Umbach, Reinhold","id":"242","last_name":"Haeb-Umbach"}],"date_created":"2020-11-25T15:03:19Z","title":"Statistical and Neural Network Based Speech Activity Detection in Non-Stationary Acoustic Environments"},{"status":"public","type":"conference","file_date_updated":"2020-12-16T14:09:48Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"20762","user_id":"49870","department":[{"_id":"54"}],"citation":{"apa":"von Neumann, T., Kinoshita, K., Drude, L., Boeddeker, C., Delcroix, M., Nakatani, T., & Haeb-Umbach, R. (2020). End-to-End Training of Time Domain Audio Separation and Recognition. ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 7004–7008. https://doi.org/10.1109/ICASSP40776.2020.9053461","mla":"von Neumann, Thilo, et al. “End-to-End Training of Time Domain Audio Separation and Recognition.” ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2020, pp. 7004–08, doi:10.1109/ICASSP40776.2020.9053461.","bibtex":"@inproceedings{von Neumann_Kinoshita_Drude_Boeddeker_Delcroix_Nakatani_Haeb-Umbach_2020, title={End-to-End Training of Time Domain Audio Separation and Recognition}, DOI={10.1109/ICASSP40776.2020.9053461}, booktitle={ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)}, author={von Neumann, Thilo and Kinoshita, Keisuke and Drude, Lukas and Boeddeker, Christoph and Delcroix, Marc and Nakatani, Tomohiro and Haeb-Umbach, Reinhold}, year={2020}, pages={7004–7008} }","short":"T. von Neumann, K. Kinoshita, L. Drude, C. Boeddeker, M. Delcroix, T. Nakatani, R. Haeb-Umbach, in: ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2020, pp. 7004–7008.","ama":"von Neumann T, Kinoshita K, Drude L, et al. End-to-End Training of Time Domain Audio Separation and Recognition. In: ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP). ; 2020:7004-7008. doi:10.1109/ICASSP40776.2020.9053461","ieee":"T. von Neumann et al., “End-to-End Training of Time Domain Audio Separation and Recognition,” in ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2020, pp. 7004–7008, doi: 10.1109/ICASSP40776.2020.9053461.","chicago":"Neumann, Thilo von, Keisuke Kinoshita, Lukas Drude, Christoph Boeddeker, Marc Delcroix, Tomohiro Nakatani, and Reinhold Haeb-Umbach. “End-to-End Training of Time Domain Audio Separation and Recognition.” In ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 7004–8, 2020. https://doi.org/10.1109/ICASSP40776.2020.9053461."},"page":"7004-7008","has_accepted_license":"1","doi":"10.1109/ICASSP40776.2020.9053461","date_updated":"2023-11-15T12:17:45Z","oa":"1","author":[{"first_name":"Thilo","full_name":"von Neumann, Thilo","id":"49870","orcid":"https://orcid.org/0000-0002-7717-8670","last_name":"von Neumann"},{"last_name":"Kinoshita","full_name":"Kinoshita, Keisuke","first_name":"Keisuke"},{"full_name":"Drude, Lukas","last_name":"Drude","first_name":"Lukas"},{"id":"40767","full_name":"Boeddeker, Christoph","last_name":"Boeddeker","first_name":"Christoph"},{"last_name":"Delcroix","full_name":"Delcroix, Marc","first_name":"Marc"},{"full_name":"Nakatani, Tomohiro","last_name":"Nakatani","first_name":"Tomohiro"},{"full_name":"Haeb-Umbach, Reinhold","id":"242","last_name":"Haeb-Umbach","first_name":"Reinhold"}],"abstract":[{"lang":"eng","text":"The rising interest in single-channel multi-speaker speech separation sparked development of End-to-End (E2E) approaches to multispeaker speech recognition. However, up until now, state-of-theart neural network–based time domain source separation has not yet been combined with E2E speech recognition. We here demonstrate how to combine a separation module based on a Convolutional Time domain Audio Separation Network (Conv-TasNet) with an E2E speech recognizer and how to train such a model jointly by distributing it over multiple GPUs or by approximating truncated back-propagation for the convolutional front-end. To put this work into perspective and illustrate the complexity of the design space, we provide a compact overview of single-channel multi-speaker recognition systems. Our experiments show a word error rate of 11.0% on WSJ0-2mix and indicate that our joint time domain model can yield substantial improvements over cascade DNN-HMM and monolithic E2E frequency domain systems proposed so far."}],"file":[{"file_id":"20763","file_name":"ICASSP_2020_vonNeumann_Paper.pdf","access_level":"open_access","file_size":192529,"date_created":"2020-12-16T14:09:48Z","creator":"huesera","date_updated":"2020-12-16T14:09:48Z","relation":"main_file","content_type":"application/pdf"}],"publication":"ICASSP 2020 - 2020 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)","ddc":["000"],"language":[{"iso":"eng"}],"year":"2020","quality_controlled":"1","title":"End-to-End Training of Time Domain Audio Separation and Recognition","date_created":"2020-12-16T14:07:54Z"},{"type":"conference","status":"public","_id":"20764","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"54"}],"user_id":"49870","file_date_updated":"2020-12-16T14:14:14Z","has_accepted_license":"1","page":"3097-3101","citation":{"apa":"von Neumann, T., Boeddeker, C., Drude, L., Kinoshita, K., Delcroix, M., Nakatani, T., & Haeb-Umbach, R. (2020). Multi-Talker ASR for an Unknown Number of Sources: Joint Training of Source Counting, Separation and ASR. Proc. Interspeech 2020, 3097–3101. https://doi.org/10.21437/Interspeech.2020-2519","bibtex":"@inproceedings{von Neumann_Boeddeker_Drude_Kinoshita_Delcroix_Nakatani_Haeb-Umbach_2020, title={Multi-Talker ASR for an Unknown Number of Sources: Joint Training of Source Counting, Separation and ASR}, DOI={10.21437/Interspeech.2020-2519}, booktitle={Proc. Interspeech 2020}, author={von Neumann, Thilo and Boeddeker, Christoph and Drude, Lukas and Kinoshita, Keisuke and Delcroix, Marc and Nakatani, Tomohiro and Haeb-Umbach, Reinhold}, year={2020}, pages={3097–3101} }","short":"T. von Neumann, C. Boeddeker, L. Drude, K. Kinoshita, M. Delcroix, T. Nakatani, R. Haeb-Umbach, in: Proc. Interspeech 2020, 2020, pp. 3097–3101.","mla":"von Neumann, Thilo, et al. “Multi-Talker ASR for an Unknown Number of Sources: Joint Training of Source Counting, Separation and ASR.” Proc. Interspeech 2020, 2020, pp. 3097–101, doi:10.21437/Interspeech.2020-2519.","ama":"von Neumann T, Boeddeker C, Drude L, et al. Multi-Talker ASR for an Unknown Number of Sources: Joint Training of Source Counting, Separation and ASR. In: Proc. Interspeech 2020. ; 2020:3097-3101. doi:10.21437/Interspeech.2020-2519","ieee":"T. von Neumann et al., “Multi-Talker ASR for an Unknown Number of Sources: Joint Training of Source Counting, Separation and ASR,” in Proc. Interspeech 2020, 2020, pp. 3097–3101, doi: 10.21437/Interspeech.2020-2519.","chicago":"Neumann, Thilo von, Christoph Boeddeker, Lukas Drude, Keisuke Kinoshita, Marc Delcroix, Tomohiro Nakatani, and Reinhold Haeb-Umbach. “Multi-Talker ASR for an Unknown Number of Sources: Joint Training of Source Counting, Separation and ASR.” In Proc. Interspeech 2020, 3097–3101, 2020. https://doi.org/10.21437/Interspeech.2020-2519."},"date_updated":"2023-11-15T12:17:57Z","oa":"1","author":[{"id":"49870","full_name":"von Neumann, Thilo","orcid":"https://orcid.org/0000-0002-7717-8670","last_name":"von Neumann","first_name":"Thilo"},{"last_name":"Boeddeker","id":"40767","full_name":"Boeddeker, Christoph","first_name":"Christoph"},{"last_name":"Drude","full_name":"Drude, Lukas","first_name":"Lukas"},{"first_name":"Keisuke","full_name":"Kinoshita, Keisuke","last_name":"Kinoshita"},{"first_name":"Marc","last_name":"Delcroix","full_name":"Delcroix, Marc"},{"first_name":"Tomohiro","full_name":"Nakatani, Tomohiro","last_name":"Nakatani"},{"full_name":"Haeb-Umbach, Reinhold","id":"242","last_name":"Haeb-Umbach","first_name":"Reinhold"}],"doi":"10.21437/Interspeech.2020-2519","publication":"Proc. Interspeech 2020","abstract":[{"text":"Most approaches to multi-talker overlapped speech separation and recognition assume that the number of simultaneously active speakers is given, but in realistic situations, it is typically unknown. To cope with this, we extend an iterative speech extraction system with mechanisms to count the number of sources and combine it with a single-talker speech recognizer to form the first end-to-end multi-talker automatic speech recognition system for an unknown number of active speakers. Our experiments show very promising performance in counting accuracy, source separation and speech recognition on simulated clean mixtures from WSJ0-2mix and WSJ0-3mix. Among others, we set a new state-of-the-art word error rate on the WSJ0-2mix database. Furthermore, our system generalizes well to a larger number of speakers than it ever saw during training, as shown in experiments with the WSJ0-4mix database. ","lang":"eng"}],"file":[{"relation":"main_file","content_type":"application/pdf","file_size":267893,"access_level":"open_access","file_id":"20765","file_name":"INTERSPEECH_2020_vonNeumann_Paper.pdf","date_updated":"2020-12-16T14:14:14Z","date_created":"2020-12-16T14:14:14Z","creator":"huesera"}],"ddc":["000"],"language":[{"iso":"eng"}],"quality_controlled":"1","year":"2020","date_created":"2020-12-16T14:12:45Z","title":"Multi-Talker ASR for an Unknown Number of Sources: Joint Training of Source Counting, Separation and ASR"},{"date_created":"2020-12-16T08:55:27Z","title":"Forward-Backward Convolutional Recurrent Neural Networks and Tag-Conditioned Convolutional Neural Networks for Weakly Labeled Semi-Supervised Sound Event Detection","quality_controlled":"1","year":"2020","language":[{"iso":"eng"}],"ddc":["000"],"publication":"Proceedings of the Detection and Classification of Acoustic Scenes and Events 2020 Workshop (DCASE2020)","file":[{"content_type":"application/pdf","relation":"main_file","date_updated":"2020-12-16T08:57:22Z","creator":"huesera","date_created":"2020-12-16T08:57:22Z","file_size":108326,"file_name":"DCASE2020Workshop_Ebbers_Paper.pdf","access_level":"open_access","file_id":"20754"}],"abstract":[{"lang":"eng","text":"In this paper we present our system for the detection and classification of acoustic scenes and events (DCASE) 2020 Challenge Task 4: Sound event detection and separation in domestic environments. We introduce two new models: the forward-backward convolutional recurrent neural network (FBCRNN) and the tag-conditioned convolutional neural network (CNN). The FBCRNN employs two recurrent neural network (RNN) classifiers sharing the same CNN for preprocessing. With one RNN processing a recording in forward direction and the other in backward direction, the two networks are trained to jointly predict audio tags, i.e., weak labels, at each time step within a recording, given that at each time step they have jointly processed the whole recording. The proposed training encourages the classifiers to tag events as soon as possible. Therefore, after training, the networks can be applied to shorter audio segments of, e.g., 200ms, allowing sound event detection (SED). Further, we propose a tag-conditioned CNN to complement SED. It is trained to predict strong labels while using (predicted) tags, i.e., weak labels, as additional input. For training pseudo strong labels from a FBCRNN ensemble are used. The presented system scored the fourth and third place in the systems and teams rankings, respectively. Subsequent improvements allow our system to even outperform the challenge baseline and winner systems in average by, respectively, 18.0% and 2.2% event-based F1-score on the validation set. Source code is publicly available at https://github.com/fgnt/pb_sed."}],"author":[{"first_name":"Janek","last_name":"Ebbers","full_name":"Ebbers, Janek","id":"34851"},{"id":"242","full_name":"Haeb-Umbach, Reinhold","last_name":"Haeb-Umbach","first_name":"Reinhold"}],"oa":"1","date_updated":"2023-11-22T08:27:32Z","has_accepted_license":"1","citation":{"ama":"Ebbers J, Haeb-Umbach R. Forward-Backward Convolutional Recurrent Neural Networks and Tag-Conditioned Convolutional Neural Networks for Weakly Labeled Semi-Supervised Sound Event Detection. In: Proceedings of the Detection and Classification of Acoustic Scenes and Events 2020 Workshop (DCASE2020). ; 2020.","chicago":"Ebbers, Janek, and Reinhold Haeb-Umbach. “Forward-Backward Convolutional Recurrent Neural Networks and Tag-Conditioned Convolutional Neural Networks for Weakly Labeled Semi-Supervised Sound Event Detection.” In Proceedings of the Detection and Classification of Acoustic Scenes and Events 2020 Workshop (DCASE2020), 2020.","ieee":"J. Ebbers and R. Haeb-Umbach, “Forward-Backward Convolutional Recurrent Neural Networks and Tag-Conditioned Convolutional Neural Networks for Weakly Labeled Semi-Supervised Sound Event Detection,” 2020.","apa":"Ebbers, J., & Haeb-Umbach, R. (2020). Forward-Backward Convolutional Recurrent Neural Networks and Tag-Conditioned Convolutional Neural Networks for Weakly Labeled Semi-Supervised Sound Event Detection. Proceedings of the Detection and Classification of Acoustic Scenes and Events 2020 Workshop (DCASE2020).","bibtex":"@inproceedings{Ebbers_Haeb-Umbach_2020, title={Forward-Backward Convolutional Recurrent Neural Networks and Tag-Conditioned Convolutional Neural Networks for Weakly Labeled Semi-Supervised Sound Event Detection}, booktitle={Proceedings of the Detection and Classification of Acoustic Scenes and Events 2020 Workshop (DCASE2020)}, author={Ebbers, Janek and Haeb-Umbach, Reinhold}, year={2020} }","short":"J. Ebbers, R. Haeb-Umbach, in: Proceedings of the Detection and Classification of Acoustic Scenes and Events 2020 Workshop (DCASE2020), 2020.","mla":"Ebbers, Janek, and Reinhold Haeb-Umbach. “Forward-Backward Convolutional Recurrent Neural Networks and Tag-Conditioned Convolutional Neural Networks for Weakly Labeled Semi-Supervised Sound Event Detection.” Proceedings of the Detection and Classification of Acoustic Scenes and Events 2020 Workshop (DCASE2020), 2020."},"department":[{"_id":"54"}],"user_id":"34851","_id":"20753","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"file_date_updated":"2020-12-16T08:57:22Z","type":"conference","status":"public"},{"citation":{"mla":"Burkhardt, Lukas, et al. “Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-Ray Emission and Absorption Spectroscopy.” Inorganic Chemistry, 2020, pp. 3551–61, doi:10.1021/acs.inorgchem.9b02092.","bibtex":"@article{Burkhardt_Vukadinovic_Nowakowski_Kalinko_Rudolph_Carlsson_Jacob_Bauer_2020, title={Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy}, DOI={10.1021/acs.inorgchem.9b02092}, journal={Inorganic Chemistry}, author={Burkhardt, Lukas and Vukadinovic, Yannik and Nowakowski, Michał and Kalinko, Aleksandr and Rudolph, Julian and Carlsson, Per-Anders and Jacob, Christoph R. and Bauer, Matthias}, year={2020}, pages={3551–3561} }","short":"L. Burkhardt, Y. Vukadinovic, M. Nowakowski, A. Kalinko, J. Rudolph, P.-A. Carlsson, C.R. Jacob, M. Bauer, Inorganic Chemistry (2020) 3551–3561.","apa":"Burkhardt, L., Vukadinovic, Y., Nowakowski, M., Kalinko, A., Rudolph, J., Carlsson, P.-A., Jacob, C. R., & Bauer, M. (2020). Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy. Inorganic Chemistry, 3551–3561. https://doi.org/10.1021/acs.inorgchem.9b02092","ama":"Burkhardt L, Vukadinovic Y, Nowakowski M, et al. Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy. Inorganic Chemistry. Published online 2020:3551-3561. doi:10.1021/acs.inorgchem.9b02092","chicago":"Burkhardt, Lukas, Yannik Vukadinovic, Michał Nowakowski, Aleksandr Kalinko, Julian Rudolph, Per-Anders Carlsson, Christoph R. Jacob, and Matthias Bauer. “Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-Ray Emission and Absorption Spectroscopy.” Inorganic Chemistry, 2020, 3551–61. https://doi.org/10.1021/acs.inorgchem.9b02092.","ieee":"L. Burkhardt et al., “Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy,” Inorganic Chemistry, pp. 3551–3561, 2020, doi: 10.1021/acs.inorgchem.9b02092."},"page":"3551-3561","year":"2020","publication_status":"published","publication_identifier":{"issn":["0020-1669","1520-510X"]},"doi":"10.1021/acs.inorgchem.9b02092","title":"Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy","date_created":"2020-03-23T10:38:47Z","author":[{"first_name":"Lukas","full_name":"Burkhardt, Lukas","id":"54038","orcid":"0000-0003-0747-9811","last_name":"Burkhardt"},{"first_name":"Yannik","last_name":"Vukadinovic","full_name":"Vukadinovic, Yannik"},{"first_name":"Michał","full_name":"Nowakowski, Michał","id":"78878","last_name":"Nowakowski","orcid":"0000-0002-3734-7011"},{"full_name":"Kalinko, Aleksandr","last_name":"Kalinko","first_name":"Aleksandr"},{"full_name":"Rudolph, Julian","last_name":"Rudolph","first_name":"Julian"},{"full_name":"Carlsson, Per-Anders","last_name":"Carlsson","first_name":"Per-Anders"},{"last_name":"Jacob","full_name":"Jacob, Christoph R.","first_name":"Christoph R."},{"orcid":"0000-0002-9294-6076","last_name":"Bauer","full_name":"Bauer, Matthias","id":"47241","first_name":"Matthias"}],"date_updated":"2024-05-07T11:44:33Z","status":"public","type":"journal_article","publication":"Inorganic Chemistry","language":[{"iso":"eng"}],"user_id":"48467","department":[{"_id":"43"},{"_id":"35"},{"_id":"306"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"16311"},{"title":"Electrically controlled rapid adiabatic passage in a single quantum dot","date_created":"2020-06-25T12:31:42Z","year":"2020","keyword":["tet_topic_qd"],"ddc":["530"],"language":[{"iso":"eng"}],"file":[{"relation":"main_file","embargo_to":"open_access","access_level":"request","file_id":"17325","date_created":"2020-06-25T12:45:04Z","date_updated":"2022-01-06T06:53:07Z","content_type":"application/pdf","embargo":"2021-06-25","file_name":"2020-06 Widhalm - APL - Electrically controlled RAP in single QD (official).pdf","file_size":1359326,"creator":"fossie"}],"publication":"Applied Physics Letters","doi":"10.1063/5.0012257","date_updated":"2023-01-24T11:12:09Z","volume":116,"author":[{"full_name":"Mukherjee, Amlan","last_name":"Mukherjee","first_name":"Amlan"},{"first_name":"Alex","last_name":"Widhalm","full_name":"Widhalm, Alex"},{"first_name":"Dustin","last_name":"Siebert","full_name":"Siebert, Dustin"},{"last_name":"Krehs","full_name":"Krehs, Sebastian","first_name":"Sebastian"},{"first_name":"Nandlal","last_name":"Sharma","full_name":"Sharma, Nandlal"},{"full_name":"Thiede, Andreas","id":"538","last_name":"Thiede","first_name":"Andreas"},{"first_name":"Dirk","last_name":"Reuter","full_name":"Reuter, Dirk","id":"37763"},{"full_name":"Förstner, Jens","id":"158","orcid":"0000-0001-7059-9862","last_name":"Förstner","first_name":"Jens"},{"last_name":"Zrenner","orcid":"0000-0002-5190-0944","full_name":"Zrenner, Artur","id":"606","first_name":"Artur"}],"intvolume":" 116","page":"251103","citation":{"ieee":"A. Mukherjee et al., “Electrically controlled rapid adiabatic passage in a single quantum dot,” Applied Physics Letters, vol. 116, p. 251103, 2020, doi: 10.1063/5.0012257.","chicago":"Mukherjee, Amlan, Alex Widhalm, Dustin Siebert, Sebastian Krehs, Nandlal Sharma, Andreas Thiede, Dirk Reuter, Jens Förstner, and Artur Zrenner. “Electrically Controlled Rapid Adiabatic Passage in a Single Quantum Dot.” Applied Physics Letters 116 (2020): 251103. https://doi.org/10.1063/5.0012257.","ama":"Mukherjee A, Widhalm A, Siebert D, et al. Electrically controlled rapid adiabatic passage in a single quantum dot. Applied Physics Letters. 2020;116:251103. doi:10.1063/5.0012257","mla":"Mukherjee, Amlan, et al. “Electrically Controlled Rapid Adiabatic Passage in a Single Quantum Dot.” Applied Physics Letters, vol. 116, 2020, p. 251103, doi:10.1063/5.0012257.","short":"A. Mukherjee, A. Widhalm, D. Siebert, S. Krehs, N. Sharma, A. Thiede, D. Reuter, J. Förstner, A. Zrenner, Applied Physics Letters 116 (2020) 251103.","bibtex":"@article{Mukherjee_Widhalm_Siebert_Krehs_Sharma_Thiede_Reuter_Förstner_Zrenner_2020, title={Electrically controlled rapid adiabatic passage in a single quantum dot}, volume={116}, DOI={10.1063/5.0012257}, journal={Applied Physics Letters}, author={Mukherjee, Amlan and Widhalm, Alex and Siebert, Dustin and Krehs, Sebastian and Sharma, Nandlal and Thiede, Andreas and Reuter, Dirk and Förstner, Jens and Zrenner, Artur}, year={2020}, pages={251103} }","apa":"Mukherjee, A., Widhalm, A., Siebert, D., Krehs, S., Sharma, N., Thiede, A., Reuter, D., Förstner, J., & Zrenner, A. (2020). Electrically controlled rapid adiabatic passage in a single quantum dot. Applied Physics Letters, 116, 251103. https://doi.org/10.1063/5.0012257"},"has_accepted_license":"1","publication_identifier":{"issn":["0003-6951","1077-3118"]},"publication_status":"published","file_date_updated":"2022-01-06T06:53:07Z","_id":"17322","project":[{"name":"TRR 142 - Project Area C","_id":"56"},{"_id":"74","name":"TRR 142 - Subproject C4"},{"name":"TRR 142","_id":"53"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"61"},{"_id":"230"},{"_id":"429"},{"_id":"51"}],"user_id":"158","status":"public","type":"journal_article"},{"citation":{"short":"L. Meier, C. Braun, T. Hannappel, W.G. Schmidt, Physica Status Solidi (b) 258 (2020).","bibtex":"@article{Meier_Braun_Hannappel_Schmidt_2020, title={Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations}, volume={258}, DOI={10.1002/pssb.202000463}, number={22000463}, journal={physica status solidi (b)}, publisher={Wiley}, author={Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}, year={2020} }","mla":"Meier, Lukas, et al. “Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations.” Physica Status Solidi (b), vol. 258, no. 2, 2000463, Wiley, 2020, doi:10.1002/pssb.202000463.","apa":"Meier, L., Braun, C., Hannappel, T., & Schmidt, W. G. (2020). Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations. Physica Status Solidi (b), 258(2), Article 2000463. https://doi.org/10.1002/pssb.202000463","ama":"Meier L, Braun C, Hannappel T, Schmidt WG. Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations. physica status solidi (b). 2020;258(2). doi:10.1002/pssb.202000463","chicago":"Meier, Lukas, Christian Braun, Thomas Hannappel, and Wolf Gero Schmidt. “Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations.” Physica Status Solidi (b) 258, no. 2 (2020). https://doi.org/10.1002/pssb.202000463.","ieee":"L. Meier, C. Braun, T. Hannappel, and W. G. Schmidt, “Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations,” physica status solidi (b), vol. 258, no. 2, Art. no. 2000463, 2020, doi: 10.1002/pssb.202000463."},"intvolume":" 258","publication_status":"published","publication_identifier":{"issn":["0370-1972","1521-3951"]},"doi":"10.1002/pssb.202000463","author":[{"last_name":"Meier","full_name":"Meier, Lukas","first_name":"Lukas"},{"first_name":"Christian","last_name":"Braun","full_name":"Braun, Christian"},{"first_name":"Thomas","full_name":"Hannappel, Thomas","last_name":"Hannappel"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"}],"volume":258,"date_updated":"2023-04-20T14:18:36Z","status":"public","type":"journal_article","article_number":"2000463","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"40233","year":"2020","issue":"2","title":"Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations","date_created":"2023-01-26T09:33:46Z","publisher":"Wiley","publication":"physica status solidi (b)","language":[{"iso":"eng"}],"keyword":["Condensed Matter Physics","Electronic","Optical and Magnetic Materials"]},{"publication":"Surface Science Reports","type":"journal_article","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"429"},{"_id":"230"},{"_id":"35"}],"user_id":"16199","_id":"17067","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"}],"language":[{"iso":"eng"}],"article_number":"100480","issue":"1","publication_identifier":{"issn":["0167-5729"]},"publication_status":"published","intvolume":" 75","citation":{"ieee":"E. Speiser, N. Esser, B. Halbig, J. Geurts, W. G. Schmidt, and S. Sanna, “Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures,” Surface Science Reports, vol. 75, no. 1, Art. no. 100480, 2020, doi: 10.1016/j.surfrep.2020.100480.","chicago":"Speiser, Eugen, Norbert Esser, Benedikt Halbig, Jean Geurts, Wolf Gero Schmidt, and Simone Sanna. “Vibrational Raman Spectroscopy on Adsorbate-Induced Low-Dimensional Surface Structures.” Surface Science Reports 75, no. 1 (2020). https://doi.org/10.1016/j.surfrep.2020.100480.","ama":"Speiser E, Esser N, Halbig B, Geurts J, Schmidt WG, Sanna S. Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. Surface Science Reports. 2020;75(1). doi:10.1016/j.surfrep.2020.100480","short":"E. Speiser, N. Esser, B. Halbig, J. Geurts, W.G. Schmidt, S. Sanna, Surface Science Reports 75 (2020).","bibtex":"@article{Speiser_Esser_Halbig_Geurts_Schmidt_Sanna_2020, title={Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures}, volume={75}, DOI={10.1016/j.surfrep.2020.100480}, number={1100480}, journal={Surface Science Reports}, author={Speiser, Eugen and Esser, Norbert and Halbig, Benedikt and Geurts, Jean and Schmidt, Wolf Gero and Sanna, Simone}, year={2020} }","mla":"Speiser, Eugen, et al. “Vibrational Raman Spectroscopy on Adsorbate-Induced Low-Dimensional Surface Structures.” Surface Science Reports, vol. 75, no. 1, 100480, 2020, doi:10.1016/j.surfrep.2020.100480.","apa":"Speiser, E., Esser, N., Halbig, B., Geurts, J., Schmidt, W. G., & Sanna, S. (2020). Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. Surface Science Reports, 75(1), Article 100480. https://doi.org/10.1016/j.surfrep.2020.100480"},"year":"2020","volume":75,"date_created":"2020-05-29T09:52:49Z","author":[{"full_name":"Speiser, Eugen","last_name":"Speiser","first_name":"Eugen"},{"full_name":"Esser, Norbert","last_name":"Esser","first_name":"Norbert"},{"first_name":"Benedikt","last_name":"Halbig","full_name":"Halbig, Benedikt"},{"first_name":"Jean","last_name":"Geurts","full_name":"Geurts, Jean"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"Simone","full_name":"Sanna, Simone","last_name":"Sanna"}],"date_updated":"2023-04-20T14:17:42Z","doi":"10.1016/j.surfrep.2020.100480","title":"Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures"},{"issue":"34","year":"2020","date_created":"2023-01-26T16:01:22Z","publisher":"Royal Society of Chemistry (RSC)","title":"Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding","publication":"Journal of Materials Chemistry C","abstract":[{"lang":"eng","text":"Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.
"}],"language":[{"iso":"eng"}],"keyword":["Materials Chemistry","General Chemistry"],"publication_identifier":{"issn":["2050-7526","2050-7534"]},"publication_status":"published","intvolume":" 8","page":"11929-11935","citation":{"apa":"Dong, C.-D., & Schumacher, S. (2020). Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C, 8(34), 11929–11935. https://doi.org/10.1039/d0tc02185g","short":"C.-D. Dong, S. Schumacher, Journal of Materials Chemistry C 8 (2020) 11929–11935.","mla":"Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C, vol. 8, no. 34, Royal Society of Chemistry (RSC), 2020, pp. 11929–35, doi:10.1039/d0tc02185g.","bibtex":"@article{Dong_Schumacher_2020, title={Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}, volume={8}, DOI={10.1039/d0tc02185g}, number={34}, journal={Journal of Materials Chemistry C}, publisher={Royal Society of Chemistry (RSC)}, author={Dong, Chuan-Ding and Schumacher, Stefan}, year={2020}, pages={11929–11935} }","ama":"Dong C-D, Schumacher S. Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding. Journal of Materials Chemistry C. 2020;8(34):11929-11935. doi:10.1039/d0tc02185g","ieee":"C.-D. Dong and S. Schumacher, “Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding,” Journal of Materials Chemistry C, vol. 8, no. 34, pp. 11929–11935, 2020, doi: 10.1039/d0tc02185g.","chicago":"Dong, Chuan-Ding, and Stefan Schumacher. “Molecular Doping in Few-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding.” Journal of Materials Chemistry C 8, no. 34 (2020): 11929–35. https://doi.org/10.1039/d0tc02185g."},"volume":8,"author":[{"first_name":"Chuan-Ding","last_name":"Dong","id":"67188","full_name":"Dong, Chuan-Ding"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","full_name":"Schumacher, Stefan","id":"27271"}],"date_updated":"2023-04-20T15:39:34Z","doi":"10.1039/d0tc02185g","type":"journal_article","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"230"},{"_id":"35"}],"user_id":"16199","_id":"40435","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000604206300002"]},"file":[{"content_type":"application/pdf","file_name":"PhysRevResearch.2.043002.pdf","file_size":1955183,"creator":"schindlm","relation":"main_file","file_id":"19843","access_level":"open_access","description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","date_created":"2020-10-02T07:27:38Z","date_updated":"2020-10-02T07:37:24Z"}],"abstract":[{"lang":"eng","text":"Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium niobate (LiNbO3). Total-energy calculations and the comparison of calculated electron paramagnetic resonance data with available measurements reveal the formation of bound \r\npolarons at Nb_Li antisite defects with a quasi-Jahn-Teller distorted, tilted configuration. The defect-formation energies further indicate that (bi)polarons may form not only at \r\nNb_Li antisites but also at structures where the antisite Nb atom moves into a neighboring empty oxygen octahedron. Based on these structure models, and on the calculated charge-transition levels and potential-energy barriers, we propose two mechanisms for the optical and thermal splitting of bipolarons, which provide a natural explanation for the reported two-path recombination of bipolarons. Optical-response calculations based on the Bethe-Salpeter equation, in combination with available experimental data and new measurements of the optical absorption spectrum, further corroborate the geometries proposed here for free and defect-bound (bi)polarons."}],"publication":"Physical Review Research","title":"Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations","date_created":"2020-09-09T09:35:21Z","publisher":"American Physical Society","year":"2020","issue":"4","quality_controlled":"1","file_date_updated":"2020-10-02T07:37:24Z","article_type":"original","isi":"1","article_number":"043002","user_id":"16199","department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"295"},{"_id":"288"},{"_id":"15"},{"_id":"170"},{"_id":"35"},{"_id":"790"}],"project":[{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"19190","status":"public","type":"journal_article","doi":"10.1103/PhysRevResearch.2.043002","author":[{"orcid":"0000-0002-5071-5528","last_name":"Schmidt","full_name":"Schmidt, Falko","id":"35251","first_name":"Falko"},{"first_name":"Agnieszka L.","orcid":"https://orcid.org/0000-0001-6584-0201","last_name":"Kozub","id":"77566","full_name":"Kozub, Agnieszka L."},{"first_name":"Timur","id":"65612","full_name":"Biktagirov, Timur","last_name":"Biktagirov"},{"full_name":"Eigner, Christof","id":"13244","last_name":"Eigner","orcid":"https://orcid.org/0000-0002-5693-3083","first_name":"Christof"},{"last_name":"Silberhorn","full_name":"Silberhorn, Christine","id":"26263","first_name":"Christine"},{"orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458","first_name":"Arno"},{"first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468"},{"first_name":"Uwe","full_name":"Gerstmann, Uwe","id":"171","last_name":"Gerstmann","orcid":"0000-0002-4476-223X"}],"volume":2,"date_updated":"2023-04-20T16:06:21Z","oa":"1","citation":{"ama":"Schmidt F, Kozub AL, Biktagirov T, et al. Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. Physical Review Research. 2020;2(4). doi:10.1103/PhysRevResearch.2.043002","chicago":"Schmidt, Falko, Agnieszka L. Kozub, Timur Biktagirov, Christof Eigner, Christine Silberhorn, Arno Schindlmayr, Wolf Gero Schmidt, and Uwe Gerstmann. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” Physical Review Research 2, no. 4 (2020). https://doi.org/10.1103/PhysRevResearch.2.043002.","ieee":"F. Schmidt et al., “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” Physical Review Research, vol. 2, no. 4, Art. no. 043002, 2020, doi: 10.1103/PhysRevResearch.2.043002.","short":"F. Schmidt, A.L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).","bibtex":"@article{Schmidt_Kozub_Biktagirov_Eigner_Silberhorn_Schindlmayr_Schmidt_Gerstmann_2020, title={Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}, volume={2}, DOI={10.1103/PhysRevResearch.2.043002}, number={4043002}, journal={Physical Review Research}, publisher={American Physical Society}, author={Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }","mla":"Schmidt, Falko, et al. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” Physical Review Research, vol. 2, no. 4, 043002, American Physical Society, 2020, doi:10.1103/PhysRevResearch.2.043002.","apa":"Schmidt, F., Kozub, A. L., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., Schmidt, W. G., & Gerstmann, U. (2020). Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. Physical Review Research, 2(4), Article 043002. https://doi.org/10.1103/PhysRevResearch.2.043002"},"intvolume":" 2","publication_status":"published","has_accepted_license":"1","publication_identifier":{"eissn":["2643-1564"]}},{"doi":"10.1021/acs.jpcc.9b11116","title":"Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures","author":[{"last_name":"Aldahhak","full_name":"Aldahhak, Hazem","first_name":"Hazem"},{"first_name":"Paulina","last_name":"Powroźnik","full_name":"Powroźnik, Paulina"},{"first_name":"Piotr","full_name":"Pander, Piotr","last_name":"Pander"},{"first_name":"Wiesław","full_name":"Jakubik, Wiesław","last_name":"Jakubik"},{"last_name":"Dias","full_name":"Dias, Fernando B.","first_name":"Fernando B."},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","id":"468","first_name":"Wolf Gero"},{"full_name":"Gerstmann, Uwe","id":"171","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe"},{"first_name":"Maciej","last_name":"Krzywiecki","full_name":"Krzywiecki, Maciej"}],"date_created":"2020-05-29T09:51:10Z","date_updated":"2023-04-20T16:07:15Z","page":"6090-6102","citation":{"ama":"Aldahhak H, Powroźnik P, Pander P, et al. Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry C. 2020;(124):6090-6102. doi:10.1021/acs.jpcc.9b11116","chicago":"Aldahhak, Hazem, Paulina Powroźnik, Piotr Pander, Wiesław Jakubik, Fernando B. Dias, Wolf Gero Schmidt, Uwe Gerstmann, and Maciej Krzywiecki. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry C, no. 124 (2020): 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116.","ieee":"H. Aldahhak et al., “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures,” The Journal of Physical Chemistry C, no. 124, pp. 6090–6102, 2020, doi: 10.1021/acs.jpcc.9b11116.","apa":"Aldahhak, H., Powroźnik, P., Pander, P., Jakubik, W., Dias, F. B., Schmidt, W. G., Gerstmann, U., & Krzywiecki, M. (2020). Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures. The Journal of Physical Chemistry C, 124, 6090–6102. https://doi.org/10.1021/acs.jpcc.9b11116","bibtex":"@article{Aldahhak_Powroźnik_Pander_Jakubik_Dias_Schmidt_Gerstmann_Krzywiecki_2020, title={Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}, DOI={10.1021/acs.jpcc.9b11116}, number={124}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}, year={2020}, pages={6090–6102} }","mla":"Aldahhak, Hazem, et al. “Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures.” The Journal of Physical Chemistry C, no. 124, 2020, pp. 6090–102, doi:10.1021/acs.jpcc.9b11116.","short":"H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt, U. Gerstmann, M. Krzywiecki, The Journal of Physical Chemistry C (2020) 6090–6102."},"year":"2020","issue":"124","publication_identifier":{"issn":["1932-7447","1932-7455"]},"publication_status":"published","language":[{"iso":"eng"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"user_id":"16199","_id":"17066","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"status":"public","publication":"The Journal of Physical Chemistry C","type":"journal_article"},{"title":"Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits","doi":"10.1103/physrevresearch.2.022024","date_updated":"2023-04-20T16:05:57Z","volume":2,"date_created":"2020-05-29T09:58:08Z","author":[{"last_name":"Biktagirov","id":"65612","full_name":"Biktagirov, Timur","first_name":"Timur"},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"last_name":"Gerstmann","orcid":"0000-0002-4476-223X","id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe"}],"year":"2020","intvolume":" 2","citation":{"chicago":"Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research 2, no. 2 (2020). https://doi.org/10.1103/physrevresearch.2.022024.","ieee":"T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits,” Physical Review Research, vol. 2, no. 2, 2020, doi: 10.1103/physrevresearch.2.022024.","ama":"Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. 2020;2(2). doi:10.1103/physrevresearch.2.022024","apa":"Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research, 2(2). https://doi.org/10.1103/physrevresearch.2.022024","short":"T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).","bibtex":"@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, volume={2}, DOI={10.1103/physrevresearch.2.022024}, number={2}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }","mla":"Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, vol. 2, no. 2, 2020, doi:10.1103/physrevresearch.2.022024."},"publication_identifier":{"issn":["2643-1564"]},"publication_status":"published","issue":"2","language":[{"iso":"eng"}],"_id":"17069","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"user_id":"16199","status":"public","publication":"Physical Review Research","type":"journal_article"},{"date_updated":"2023-04-20T16:08:20Z","date_created":"2020-09-09T09:22:14Z","author":[{"id":"65612","full_name":"Biktagirov, Timur","last_name":"Biktagirov","first_name":"Timur"},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"},{"orcid":"0000-0002-4476-223X","last_name":"Gerstmann","full_name":"Gerstmann, Uwe","id":"171","first_name":"Uwe"}],"title":"Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits","doi":"10.1103/physrevresearch.2.022024","publication_status":"published","publication_identifier":{"issn":["2643-1564"]},"year":"2020","citation":{"ama":"Biktagirov T, Schmidt WG, Gerstmann U. Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. Published online 2020. doi:10.1103/physrevresearch.2.022024","ieee":"T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits,” Physical Review Research, 2020, doi: 10.1103/physrevresearch.2.022024.","chicago":"Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, 2020. https://doi.org/10.1103/physrevresearch.2.022024.","apa":"Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2020). Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits. Physical Review Research. https://doi.org/10.1103/physrevresearch.2.022024","short":"T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review Research (2020).","bibtex":"@article{Biktagirov_Schmidt_Gerstmann_2020, title={Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}, DOI={10.1103/physrevresearch.2.022024}, journal={Physical Review Research}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020} }","mla":"Biktagirov, Timur, et al. “Spin Decontamination for Magnetic Dipolar Coupling Calculations: Application to High-Spin Molecules and Solid-State Spin Qubits.” Physical Review Research, 2020, doi:10.1103/physrevresearch.2.022024."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"19194","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Physical Review Research","status":"public"},{"_id":"19193","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"35"},{"_id":"790"}],"user_id":"16199","language":[{"iso":"eng"}],"publication":"Langmuir","type":"journal_article","status":"public","date_updated":"2023-04-20T16:08:01Z","author":[{"last_name":"Niederhausen","full_name":"Niederhausen, Jens","first_name":"Jens"},{"full_name":"MacQueen, Rowan W.","last_name":"MacQueen","first_name":"Rowan W."},{"last_name":"Lips","full_name":"Lips, Klaus","first_name":"Klaus"},{"full_name":"Aldahhak, Hazem","last_name":"Aldahhak","first_name":"Hazem"},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"},{"first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"}],"date_created":"2020-09-09T09:18:57Z","title":"Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon","doi":"10.1021/acs.langmuir.0c01154","publication_identifier":{"issn":["0743-7463","1520-5827"]},"publication_status":"published","year":"2020","page":"9099-9113","citation":{"ieee":"J. Niederhausen, R. W. MacQueen, K. Lips, H. Aldahhak, W. G. Schmidt, and U. Gerstmann, “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon,” Langmuir, pp. 9099–9113, 2020, doi: 10.1021/acs.langmuir.0c01154.","chicago":"Niederhausen, Jens, Rowan W. MacQueen, Klaus Lips, Hazem Aldahhak, Wolf Gero Schmidt, and Uwe Gerstmann. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” Langmuir, 2020, 9099–9113. https://doi.org/10.1021/acs.langmuir.0c01154.","ama":"Niederhausen J, MacQueen RW, Lips K, Aldahhak H, Schmidt WG, Gerstmann U. Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. Langmuir. Published online 2020:9099-9113. doi:10.1021/acs.langmuir.0c01154","short":"J. Niederhausen, R.W. MacQueen, K. Lips, H. Aldahhak, W.G. Schmidt, U. Gerstmann, Langmuir (2020) 9099–9113.","mla":"Niederhausen, Jens, et al. “Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon.” Langmuir, 2020, pp. 9099–113, doi:10.1021/acs.langmuir.0c01154.","bibtex":"@article{Niederhausen_MacQueen_Lips_Aldahhak_Schmidt_Gerstmann_2020, title={Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}, DOI={10.1021/acs.langmuir.0c01154}, journal={Langmuir}, author={Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2020}, pages={9099–9113} }","apa":"Niederhausen, J., MacQueen, R. W., Lips, K., Aldahhak, H., Schmidt, W. G., & Gerstmann, U. (2020). Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon. Langmuir, 9099–9113. https://doi.org/10.1021/acs.langmuir.0c01154"}}]