[{"abstract":[{"lang":"eng","text":"While trade-offs between modeling effort and model accuracy remain a major concern with system identification, resorting to data-driven methods often leads to a complete disregard for physical plausibility. To address this issue, we propose a physics-guided hybrid approach for modeling non-autonomous systems under control. Starting from a traditional physics-based model, this is extended by a recurrent neural network and trained using a sophisticated multi-objective strategy yielding physically plausible models. While purely data-driven methods fail to produce satisfying results, experiments conducted on real data reveal substantial accuracy improvements by our approach compared to a physics-based model. "}],"publication":"14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)","keyword":["neural networks","physics-guided","data-driven","multi-objective optimization","system identification","machine learning","dynamical systems"],"language":[{"iso":"eng"}],"year":"2022","quality_controlled":"1","issue":"12","title":"Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems","date_created":"2022-05-05T06:22:55Z","status":"public","type":"conference","_id":"31066","user_id":"43992","department":[{"_id":"153"},{"_id":"880"}],"citation":{"chicago":"Schön, Oliver, Ricarda-Samantha Götte, and Julia Timmermann. “Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems.” In <i>14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)</i>, 55:19–24, 2022. <a href=\"https://doi.org/10.1016/j.ifacol.2022.07.282\">https://doi.org/10.1016/j.ifacol.2022.07.282</a>.","ieee":"O. Schön, R.-S. Götte, and J. Timmermann, “Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems,” in <i>14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)</i>, Casablanca, Morocco, 2022, vol. 55, no. 12, pp. 19–24, doi: <a href=\"https://doi.org/10.1016/j.ifacol.2022.07.282\">https://doi.org/10.1016/j.ifacol.2022.07.282</a>.","ama":"Schön O, Götte R-S, Timmermann J. Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems. In: <i>14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)</i>. Vol 55. ; 2022:19-24. doi:<a href=\"https://doi.org/10.1016/j.ifacol.2022.07.282\">https://doi.org/10.1016/j.ifacol.2022.07.282</a>","mla":"Schön, Oliver, et al. “Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems.” <i>14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)</i>, vol. 55, no. 12, 2022, pp. 19–24, doi:<a href=\"https://doi.org/10.1016/j.ifacol.2022.07.282\">https://doi.org/10.1016/j.ifacol.2022.07.282</a>.","short":"O. Schön, R.-S. Götte, J. Timmermann, in: 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022), 2022, pp. 19–24.","bibtex":"@inproceedings{Schön_Götte_Timmermann_2022, title={Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems}, volume={55}, DOI={<a href=\"https://doi.org/10.1016/j.ifacol.2022.07.282\">https://doi.org/10.1016/j.ifacol.2022.07.282</a>}, number={12}, booktitle={14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)}, author={Schön, Oliver and Götte, Ricarda-Samantha and Timmermann, Julia}, year={2022}, pages={19–24} }","apa":"Schön, O., Götte, R.-S., &#38; Timmermann, J. (2022). Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems. <i>14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)</i>, <i>55</i>(12), 19–24. <a href=\"https://doi.org/10.1016/j.ifacol.2022.07.282\">https://doi.org/10.1016/j.ifacol.2022.07.282</a>"},"page":"19-24","intvolume":"        55","doi":"https://doi.org/10.1016/j.ifacol.2022.07.282","conference":{"end_date":"2022-07-01","location":"Casablanca, Morocco","name":"14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)","start_date":"2022-06-29"},"date_updated":"2024-11-13T08:43:16Z","author":[{"first_name":"Oliver","full_name":"Schön, Oliver","last_name":"Schön"},{"last_name":"Götte","id":"43992","full_name":"Götte, Ricarda-Samantha","first_name":"Ricarda-Samantha"},{"last_name":"Timmermann","id":"15402","full_name":"Timmermann, Julia","first_name":"Julia"}],"volume":55},{"keyword":["Atomic and Molecular Physics","and Optics","Electronic","Optical and Magnetic Materials"],"language":[{"iso":"eng"}],"abstract":[{"text":"Subwavelength dielectric resonators assembled into metasurfaces have become a versatile tool for miniaturizing optical components approaching the nanoscale. An important class of metasurface functionalities is associated with asymmetry in both the generation and transmission of light with respect to reversals of the positions of emitters and receivers. The nonlinear light–matter interaction in metasurfaces offers a promising pathway towards miniaturization of the asymmetric control of light. Here we demonstrate asymmetric parametric generation of light in nonlinear metasurfaces. We assemble dissimilar nonlinear dielectric resonators into translucent metasurfaces that produce images in the visible spectral range on being illuminated by infrared radiation. By design, the metasurfaces produce different and completely independent images for the reversed direction of illumination, that is, when the positions of the infrared emitter and the visible light receiver are exchanged. Nonlinearity-enabled asymmetric control of light by subwavelength resonators paves the way towards novel nanophotonic components via dense integration of large quantities of nonlinear resonators into compact metasurface designs.","lang":"eng"}],"publication":"Nature Photonics","title":"Asymmetric parametric generation of images with nonlinear dielectric metasurfaces","publisher":"Springer Science and Business Media LLC","date_created":"2022-06-21T05:52:43Z","year":"2022","quality_controlled":"1","article_type":"original","_id":"32088","project":[{"_id":"53","name":"TRR 142: TRR 142","grant_number":"231447078"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"grant_number":"231447078","name":"TRR 142 - B09: TRR 142 - Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen (B09*)","_id":"170"}],"department":[{"_id":"15"},{"_id":"230"},{"_id":"289"},{"_id":"623"}],"user_id":"30525","status":"public","type":"journal_article","doi":"10.1038/s41566-022-01018-7","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/2108.04425"}],"oa":"1","date_updated":"2025-05-21T08:49:00Z","volume":16,"author":[{"first_name":"Sergey S.","last_name":"Kruk","full_name":"Kruk, Sergey S."},{"first_name":"Lei","last_name":"Wang","full_name":"Wang, Lei"},{"last_name":"Sain","full_name":"Sain, Basudeb","first_name":"Basudeb"},{"full_name":"Dong, Zhaogang","last_name":"Dong","first_name":"Zhaogang"},{"last_name":"Yang","full_name":"Yang, Joel","first_name":"Joel"},{"first_name":"Thomas","full_name":"Zentgraf, Thomas","id":"30525","orcid":"0000-0002-8662-1101","last_name":"Zentgraf"},{"last_name":"Kivshar","full_name":"Kivshar, Yuri","first_name":"Yuri"}],"intvolume":"        16","page":"561–565","citation":{"apa":"Kruk, S. S., Wang, L., Sain, B., Dong, Z., Yang, J., Zentgraf, T., &#38; Kivshar, Y. (2022). Asymmetric parametric generation of images with nonlinear dielectric metasurfaces. <i>Nature Photonics</i>, <i>16</i>, 561–565. <a href=\"https://doi.org/10.1038/s41566-022-01018-7\">https://doi.org/10.1038/s41566-022-01018-7</a>","mla":"Kruk, Sergey S., et al. “Asymmetric Parametric Generation of Images with Nonlinear Dielectric Metasurfaces.” <i>Nature Photonics</i>, vol. 16, Springer Science and Business Media LLC, 2022, pp. 561–565, doi:<a href=\"https://doi.org/10.1038/s41566-022-01018-7\">10.1038/s41566-022-01018-7</a>.","bibtex":"@article{Kruk_Wang_Sain_Dong_Yang_Zentgraf_Kivshar_2022, title={Asymmetric parametric generation of images with nonlinear dielectric metasurfaces}, volume={16}, DOI={<a href=\"https://doi.org/10.1038/s41566-022-01018-7\">10.1038/s41566-022-01018-7</a>}, journal={Nature Photonics}, publisher={Springer Science and Business Media LLC}, author={Kruk, Sergey S. and Wang, Lei and Sain, Basudeb and Dong, Zhaogang and Yang, Joel and Zentgraf, Thomas and Kivshar, Yuri}, year={2022}, pages={561–565} }","short":"S.S. Kruk, L. Wang, B. Sain, Z. Dong, J. Yang, T. Zentgraf, Y. Kivshar, Nature Photonics 16 (2022) 561–565.","chicago":"Kruk, Sergey S., Lei Wang, Basudeb Sain, Zhaogang Dong, Joel Yang, Thomas Zentgraf, and Yuri Kivshar. “Asymmetric Parametric Generation of Images with Nonlinear Dielectric Metasurfaces.” <i>Nature Photonics</i> 16 (2022): 561–565. <a href=\"https://doi.org/10.1038/s41566-022-01018-7\">https://doi.org/10.1038/s41566-022-01018-7</a>.","ieee":"S. S. Kruk <i>et al.</i>, “Asymmetric parametric generation of images with nonlinear dielectric metasurfaces,” <i>Nature Photonics</i>, vol. 16, pp. 561–565, 2022, doi: <a href=\"https://doi.org/10.1038/s41566-022-01018-7\">10.1038/s41566-022-01018-7</a>.","ama":"Kruk SS, Wang L, Sain B, et al. Asymmetric parametric generation of images with nonlinear dielectric metasurfaces. <i>Nature Photonics</i>. 2022;16:561–565. doi:<a href=\"https://doi.org/10.1038/s41566-022-01018-7\">10.1038/s41566-022-01018-7</a>"},"publication_identifier":{"issn":["1749-4885","1749-4893"]},"publication_status":"published"},{"user_id":"94562","department":[{"_id":"728"}],"_id":"53082","language":[{"iso":"eng"}],"article_number":"111961","article_type":"original","keyword":["General Physics and Astronomy","Energy Engineering and Power Technology","Fuel Technology","General Chemical Engineering","General Chemistry"],"type":"journal_article","publication":"Combustion and Flame","status":"public","author":[{"full_name":"Zinsmeister, Julia","last_name":"Zinsmeister","first_name":"Julia"},{"full_name":"Gaiser, Nina","last_name":"Gaiser","first_name":"Nina"},{"first_name":"Jens","last_name":"Melder","full_name":"Melder, Jens"},{"first_name":"Thomas","full_name":"Bierkandt, Thomas","last_name":"Bierkandt"},{"last_name":"Hemberger","full_name":"Hemberger, Patrick","first_name":"Patrick"},{"first_name":"Tina","id":"94562","full_name":"Kasper, Tina","orcid":"0000-0003-3993-5316 ","last_name":"Kasper"},{"first_name":"Manfred","full_name":"Aigner, Manfred","last_name":"Aigner"},{"first_name":"Markus","last_name":"Köhler","full_name":"Köhler, Markus"},{"first_name":"Patrick","full_name":"Oßwald, Patrick","last_name":"Oßwald"}],"date_created":"2024-03-27T17:40:32Z","volume":243,"date_updated":"2025-07-08T10:34:57Z","publisher":"Elsevier BV","doi":"10.1016/j.combustflame.2021.111961","title":"On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study","publication_status":"published","publication_identifier":{"issn":["0010-2180"]},"quality_controlled":"1","citation":{"ama":"Zinsmeister J, Gaiser N, Melder J, et al. On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study. <i>Combustion and Flame</i>. 2022;243. doi:<a href=\"https://doi.org/10.1016/j.combustflame.2021.111961\">10.1016/j.combustflame.2021.111961</a>","chicago":"Zinsmeister, Julia, Nina Gaiser, Jens Melder, Thomas Bierkandt, Patrick Hemberger, Tina Kasper, Manfred Aigner, Markus Köhler, and Patrick Oßwald. “On the Diversity of Fossil and Alternative Gasoline Combustion Chemistry: A Comparative Flow Reactor Study.” <i>Combustion and Flame</i> 243 (2022). <a href=\"https://doi.org/10.1016/j.combustflame.2021.111961\">https://doi.org/10.1016/j.combustflame.2021.111961</a>.","ieee":"J. Zinsmeister <i>et al.</i>, “On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study,” <i>Combustion and Flame</i>, vol. 243, Art. no. 111961, 2022, doi: <a href=\"https://doi.org/10.1016/j.combustflame.2021.111961\">10.1016/j.combustflame.2021.111961</a>.","bibtex":"@article{Zinsmeister_Gaiser_Melder_Bierkandt_Hemberger_Kasper_Aigner_Köhler_Oßwald_2022, title={On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study}, volume={243}, DOI={<a href=\"https://doi.org/10.1016/j.combustflame.2021.111961\">10.1016/j.combustflame.2021.111961</a>}, number={111961}, journal={Combustion and Flame}, publisher={Elsevier BV}, author={Zinsmeister, Julia and Gaiser, Nina and Melder, Jens and Bierkandt, Thomas and Hemberger, Patrick and Kasper, Tina and Aigner, Manfred and Köhler, Markus and Oßwald, Patrick}, year={2022} }","short":"J. Zinsmeister, N. Gaiser, J. Melder, T. Bierkandt, P. Hemberger, T. Kasper, M. Aigner, M. Köhler, P. Oßwald, Combustion and Flame 243 (2022).","mla":"Zinsmeister, Julia, et al. “On the Diversity of Fossil and Alternative Gasoline Combustion Chemistry: A Comparative Flow Reactor Study.” <i>Combustion and Flame</i>, vol. 243, 111961, Elsevier BV, 2022, doi:<a href=\"https://doi.org/10.1016/j.combustflame.2021.111961\">10.1016/j.combustflame.2021.111961</a>.","apa":"Zinsmeister, J., Gaiser, N., Melder, J., Bierkandt, T., Hemberger, P., Kasper, T., Aigner, M., Köhler, M., &#38; Oßwald, P. (2022). On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study. <i>Combustion and Flame</i>, <i>243</i>, Article 111961. <a href=\"https://doi.org/10.1016/j.combustflame.2021.111961\">https://doi.org/10.1016/j.combustflame.2021.111961</a>"},"intvolume":"       243","year":"2022"},{"volume":121,"date_created":"2022-11-16T12:29:11Z","author":[{"first_name":"Ying","last_name":"Gao","full_name":"Gao, Ying"},{"full_name":"Li, Yao","last_name":"Li","first_name":"Yao"},{"id":"59416","full_name":"Ma, Xuekai","last_name":"Ma","first_name":"Xuekai"},{"full_name":"Gao, Meini","last_name":"Gao","first_name":"Meini"},{"first_name":"Haitao","last_name":"Dai","full_name":"Dai, Haitao"},{"full_name":"Schumacher, Stefan","id":"27271","orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan"},{"last_name":"Gao","full_name":"Gao, Tingge","first_name":"Tingge"}],"date_updated":"2025-12-05T13:50:49Z","publisher":"AIP Publishing","doi":"10.1063/5.0093908","title":"Tilting nondispersive bands in an empty microcavity","issue":"20","publication_identifier":{"issn":["0003-6951","1077-3118"]},"publication_status":"published","intvolume":"       121","citation":{"chicago":"Gao, Ying, Yao Li, Xuekai Ma, Meini Gao, Haitao Dai, Stefan Schumacher, and Tingge Gao. “Tilting Nondispersive Bands in an Empty Microcavity.” <i>Applied Physics Letters</i> 121, no. 20 (2022). <a href=\"https://doi.org/10.1063/5.0093908\">https://doi.org/10.1063/5.0093908</a>.","ieee":"Y. Gao <i>et al.</i>, “Tilting nondispersive bands in an empty microcavity,” <i>Applied Physics Letters</i>, vol. 121, no. 20, Art. no. 201103, 2022, doi: <a href=\"https://doi.org/10.1063/5.0093908\">10.1063/5.0093908</a>.","ama":"Gao Y, Li Y, Ma X, et al. Tilting nondispersive bands in an empty microcavity. <i>Applied Physics Letters</i>. 2022;121(20). doi:<a href=\"https://doi.org/10.1063/5.0093908\">10.1063/5.0093908</a>","short":"Y. Gao, Y. Li, X. Ma, M. Gao, H. Dai, S. Schumacher, T. Gao, Applied Physics Letters 121 (2022).","mla":"Gao, Ying, et al. “Tilting Nondispersive Bands in an Empty Microcavity.” <i>Applied Physics Letters</i>, vol. 121, no. 20, 201103, AIP Publishing, 2022, doi:<a href=\"https://doi.org/10.1063/5.0093908\">10.1063/5.0093908</a>.","bibtex":"@article{Gao_Li_Ma_Gao_Dai_Schumacher_Gao_2022, title={Tilting nondispersive bands in an empty microcavity}, volume={121}, DOI={<a href=\"https://doi.org/10.1063/5.0093908\">10.1063/5.0093908</a>}, number={20201103}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Gao, Ying and Li, Yao and Ma, Xuekai and Gao, Meini and Dai, Haitao and Schumacher, Stefan and Gao, Tingge}, year={2022} }","apa":"Gao, Y., Li, Y., Ma, X., Gao, M., Dai, H., Schumacher, S., &#38; Gao, T. (2022). Tilting nondispersive bands in an empty microcavity. <i>Applied Physics Letters</i>, <i>121</i>(20), Article 201103. <a href=\"https://doi.org/10.1063/5.0093908\">https://doi.org/10.1063/5.0093908</a>"},"year":"2022","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"705"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"user_id":"16199","_id":"34094","project":[{"_id":"53","name":"TRR 142: TRR 142"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - A4: TRR 142 - Subproject A4","_id":"61"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"language":[{"iso":"eng"}],"keyword":["Physics and Astronomy (miscellaneous)"],"article_number":"201103","publication":"Applied Physics Letters","type":"journal_article","status":"public"},{"title":"Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN","doi":"10.1021/acs.nanolett.1c04610","publisher":"American Chemical Society (ACS)","date_updated":"2025-12-05T13:57:24Z","date_created":"2023-01-20T11:21:22Z","author":[{"first_name":"Fadis F.","full_name":"Murzakhanov, Fadis F.","last_name":"Murzakhanov"},{"first_name":"Georgy Vladimirovich","last_name":"Mamin","full_name":"Mamin, Georgy Vladimirovich"},{"last_name":"Orlinskii","full_name":"Orlinskii, Sergei Borisovich","first_name":"Sergei Borisovich"},{"first_name":"Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","id":"171","full_name":"Gerstmann, Uwe"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"last_name":"Biktagirov","full_name":"Biktagirov, Timur","id":"65612","first_name":"Timur"},{"last_name":"Aharonovich","full_name":"Aharonovich, Igor","first_name":"Igor"},{"first_name":"Andreas","last_name":"Gottscholl","full_name":"Gottscholl, Andreas"},{"last_name":"Sperlich","full_name":"Sperlich, Andreas","first_name":"Andreas"},{"first_name":"Vladimir","full_name":"Dyakonov, Vladimir","last_name":"Dyakonov"},{"full_name":"Soltamov, Victor A.","last_name":"Soltamov","first_name":"Victor A."}],"volume":22,"year":"2022","citation":{"chicago":"Murzakhanov, Fadis F., Georgy Vladimirovich Mamin, Sergei Borisovich Orlinskii, Uwe Gerstmann, Wolf Gero Schmidt, Timur Biktagirov, Igor Aharonovich, et al. “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in HBN.” <i>Nano Letters</i> 22, no. 7 (2022): 2718–24. <a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">https://doi.org/10.1021/acs.nanolett.1c04610</a>.","ieee":"F. F. Murzakhanov <i>et al.</i>, “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN,” <i>Nano Letters</i>, vol. 22, no. 7, pp. 2718–2724, 2022, doi: <a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>.","ama":"Murzakhanov FF, Mamin GV, Orlinskii SB, et al. Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN. <i>Nano Letters</i>. 2022;22(7):2718-2724. doi:<a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>","apa":"Murzakhanov, F. F., Mamin, G. V., Orlinskii, S. B., Gerstmann, U., Schmidt, W. G., Biktagirov, T., Aharonovich, I., Gottscholl, A., Sperlich, A., Dyakonov, V., &#38; Soltamov, V. A. (2022). Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN. <i>Nano Letters</i>, <i>22</i>(7), 2718–2724. <a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">https://doi.org/10.1021/acs.nanolett.1c04610</a>","bibtex":"@article{Murzakhanov_Mamin_Orlinskii_Gerstmann_Schmidt_Biktagirov_Aharonovich_Gottscholl_Sperlich_Dyakonov_et al._2022, title={Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN}, volume={22}, DOI={<a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>}, number={7}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Murzakhanov, Fadis F. and Mamin, Georgy Vladimirovich and Orlinskii, Sergei Borisovich and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur and Aharonovich, Igor and Gottscholl, Andreas and Sperlich, Andreas and Dyakonov, Vladimir and et al.}, year={2022}, pages={2718–2724} }","mla":"Murzakhanov, Fadis F., et al. “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in HBN.” <i>Nano Letters</i>, vol. 22, no. 7, American Chemical Society (ACS), 2022, pp. 2718–24, doi:<a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>.","short":"F.F. Murzakhanov, G.V. Mamin, S.B. Orlinskii, U. Gerstmann, W.G. Schmidt, T. Biktagirov, I. Aharonovich, A. Gottscholl, A. Sperlich, V. Dyakonov, V.A. Soltamov, Nano Letters 22 (2022) 2718–2724."},"intvolume":"        22","page":"2718-2724","publication_status":"published","publication_identifier":{"issn":["1530-6984","1530-6992"]},"issue":"7","keyword":["Mechanical Engineering","Condensed Matter Physics","General Materials Science","General Chemistry","Bioengineering"],"language":[{"iso":"eng"}],"project":[{"name":"TRR 142: TRR 142","_id":"53"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Subproject B07"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"_id":"37713","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"790"}],"status":"public","type":"journal_article","publication":"Nano Letters"},{"status":"public","type":"journal_article","publication":"Advanced Science","article_number":"2203588","keyword":["General Physics and Astronomy","General Engineering","Biochemistry","Genetics and Molecular Biology (miscellaneous)","General Materials Science","General Chemical Engineering","Medicine (miscellaneous)"],"language":[{"iso":"eng"}],"project":[{"_id":"53","name":"TRR 142: TRR 142"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"_id":"61","name":"TRR 142 - A4: TRR 142 - Subproject A4"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"_id":"33080","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"705"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"year":"2022","citation":{"apa":"Long, T., Ma, X., Ren, J., Li, F., Liao, Q., Schumacher, S., Malpuech, G., Solnyshkov, D., &#38; Fu, H. (2022). Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity. <i>Advanced Science</i>, <i>9</i>(29), Article 2203588. <a href=\"https://doi.org/10.1002/advs.202203588\">https://doi.org/10.1002/advs.202203588</a>","mla":"Long, Teng, et al. “Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity.” <i>Advanced Science</i>, vol. 9, no. 29, 2203588, Wiley, 2022, doi:<a href=\"https://doi.org/10.1002/advs.202203588\">10.1002/advs.202203588</a>.","bibtex":"@article{Long_Ma_Ren_Li_Liao_Schumacher_Malpuech_Solnyshkov_Fu_2022, title={Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity}, volume={9}, DOI={<a href=\"https://doi.org/10.1002/advs.202203588\">10.1002/advs.202203588</a>}, number={292203588}, journal={Advanced Science}, publisher={Wiley}, author={Long, Teng and Ma, Xuekai and Ren, Jiahuan and Li, Feng and Liao, Qing and Schumacher, Stefan and Malpuech, Guillaume and Solnyshkov, Dmitry and Fu, Hongbing}, year={2022} }","short":"T. Long, X. Ma, J. Ren, F. Li, Q. Liao, S. Schumacher, G. Malpuech, D. Solnyshkov, H. Fu, Advanced Science 9 (2022).","chicago":"Long, Teng, Xuekai Ma, Jiahuan Ren, Feng Li, Qing Liao, Stefan Schumacher, Guillaume Malpuech, Dmitry Solnyshkov, and Hongbing Fu. “Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity.” <i>Advanced Science</i> 9, no. 29 (2022). <a href=\"https://doi.org/10.1002/advs.202203588\">https://doi.org/10.1002/advs.202203588</a>.","ieee":"T. Long <i>et al.</i>, “Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity,” <i>Advanced Science</i>, vol. 9, no. 29, Art. no. 2203588, 2022, doi: <a href=\"https://doi.org/10.1002/advs.202203588\">10.1002/advs.202203588</a>.","ama":"Long T, Ma X, Ren J, et al. Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity. <i>Advanced Science</i>. 2022;9(29). doi:<a href=\"https://doi.org/10.1002/advs.202203588\">10.1002/advs.202203588</a>"},"intvolume":"         9","publication_status":"published","publication_identifier":{"issn":["2198-3844","2198-3844"]},"issue":"29","title":"Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity","doi":"10.1002/advs.202203588","publisher":"Wiley","date_updated":"2025-12-05T13:56:26Z","author":[{"last_name":"Long","full_name":"Long, Teng","first_name":"Teng"},{"last_name":"Ma","full_name":"Ma, Xuekai","id":"59416","first_name":"Xuekai"},{"last_name":"Ren","full_name":"Ren, Jiahuan","first_name":"Jiahuan"},{"last_name":"Li","full_name":"Li, Feng","first_name":"Feng"},{"first_name":"Qing","full_name":"Liao, Qing","last_name":"Liao"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","full_name":"Schumacher, Stefan","id":"27271"},{"last_name":"Malpuech","full_name":"Malpuech, Guillaume","first_name":"Guillaume"},{"first_name":"Dmitry","last_name":"Solnyshkov","full_name":"Solnyshkov, Dmitry"},{"first_name":"Hongbing","last_name":"Fu","full_name":"Fu, Hongbing"}],"date_created":"2022-08-22T19:05:04Z","volume":9},{"type":"journal_article","publication":"Nature Communications","status":"public","project":[{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"name":"TRR 142 - A4: TRR 142 - Subproject A4","_id":"61"},{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"}],"_id":"32310","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"705"},{"_id":"230"},{"_id":"429"},{"_id":"623"},{"_id":"35"}],"article_number":"3785","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"issn":["2041-1723"]},"issue":"1","year":"2022","citation":{"short":"Y. Li, X. Ma, X. Zhai, M. Gao, H. Dai, S. Schumacher, T. Gao, Nature Communications 13 (2022).","mla":"Li, Yao, et al. “Manipulating Polariton Condensates by Rashba-Dresselhaus Coupling at Room Temperature.” <i>Nature Communications</i>, vol. 13, no. 1, 3785, Springer Science and Business Media LLC, 2022, doi:<a href=\"https://doi.org/10.1038/s41467-022-31529-4\">10.1038/s41467-022-31529-4</a>.","bibtex":"@article{Li_Ma_Zhai_Gao_Dai_Schumacher_Gao_2022, title={Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature}, volume={13}, DOI={<a href=\"https://doi.org/10.1038/s41467-022-31529-4\">10.1038/s41467-022-31529-4</a>}, number={13785}, journal={Nature Communications}, publisher={Springer Science and Business Media LLC}, author={Li, Yao and Ma, Xuekai and Zhai, Xiaokun and Gao, Meini and Dai, Haitao and Schumacher, Stefan and Gao, Tingge}, year={2022} }","apa":"Li, Y., Ma, X., Zhai, X., Gao, M., Dai, H., Schumacher, S., &#38; Gao, T. (2022). Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature. <i>Nature Communications</i>, <i>13</i>(1), Article 3785. <a href=\"https://doi.org/10.1038/s41467-022-31529-4\">https://doi.org/10.1038/s41467-022-31529-4</a>","ieee":"Y. Li <i>et al.</i>, “Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature,” <i>Nature Communications</i>, vol. 13, no. 1, Art. no. 3785, 2022, doi: <a href=\"https://doi.org/10.1038/s41467-022-31529-4\">10.1038/s41467-022-31529-4</a>.","chicago":"Li, Yao, Xuekai Ma, Xiaokun Zhai, Meini Gao, Haitao Dai, Stefan Schumacher, and Tingge Gao. “Manipulating Polariton Condensates by Rashba-Dresselhaus Coupling at Room Temperature.” <i>Nature Communications</i> 13, no. 1 (2022). <a href=\"https://doi.org/10.1038/s41467-022-31529-4\">https://doi.org/10.1038/s41467-022-31529-4</a>.","ama":"Li Y, Ma X, Zhai X, et al. Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature. <i>Nature Communications</i>. 2022;13(1). doi:<a href=\"https://doi.org/10.1038/s41467-022-31529-4\">10.1038/s41467-022-31529-4</a>"},"intvolume":"        13","date_updated":"2025-12-05T13:54:19Z","publisher":"Springer Science and Business Media LLC","date_created":"2022-07-01T09:12:53Z","author":[{"full_name":"Li, Yao","last_name":"Li","first_name":"Yao"},{"first_name":"Xuekai","last_name":"Ma","full_name":"Ma, Xuekai","id":"59416"},{"first_name":"Xiaokun","last_name":"Zhai","full_name":"Zhai, Xiaokun"},{"full_name":"Gao, Meini","last_name":"Gao","first_name":"Meini"},{"first_name":"Haitao","full_name":"Dai, Haitao","last_name":"Dai"},{"first_name":"Stefan","id":"27271","full_name":"Schumacher, Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher"},{"last_name":"Gao","full_name":"Gao, Tingge","first_name":"Tingge"}],"volume":13,"title":"Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature","doi":"10.1038/s41467-022-31529-4"},{"publisher":"Optica Publishing Group","date_updated":"2025-12-05T13:55:22Z","author":[{"first_name":"Xinghui","last_name":"Gao","full_name":"Gao, Xinghui"},{"first_name":"Wei","full_name":"Hu, Wei","last_name":"Hu"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","id":"27271","full_name":"Schumacher, Stefan"},{"first_name":"Xuekai","full_name":"Ma, Xuekai","id":"59416","last_name":"Ma"}],"date_created":"2022-06-24T07:38:11Z","volume":47,"title":"Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates","doi":"10.1364/ol.457724","publication_status":"published","publication_identifier":{"issn":["0146-9592","1539-4794"]},"issue":"13","year":"2022","citation":{"ama":"Gao X, Hu W, Schumacher S, Ma X. Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates. <i>Optics Letters</i>. 2022;47(13):3235-3238. doi:<a href=\"https://doi.org/10.1364/ol.457724\">10.1364/ol.457724</a>","chicago":"Gao, Xinghui, Wei Hu, Stefan Schumacher, and Xuekai Ma. “Unidirectional Vortex Waveguides and Multistable Vortex Pairs in Polariton Condensates.” <i>Optics Letters</i> 47, no. 13 (2022): 3235–38. <a href=\"https://doi.org/10.1364/ol.457724\">https://doi.org/10.1364/ol.457724</a>.","ieee":"X. Gao, W. Hu, S. Schumacher, and X. Ma, “Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates,” <i>Optics Letters</i>, vol. 47, no. 13, pp. 3235–3238, 2022, doi: <a href=\"https://doi.org/10.1364/ol.457724\">10.1364/ol.457724</a>.","apa":"Gao, X., Hu, W., Schumacher, S., &#38; Ma, X. (2022). Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates. <i>Optics Letters</i>, <i>47</i>(13), 3235–3238. <a href=\"https://doi.org/10.1364/ol.457724\">https://doi.org/10.1364/ol.457724</a>","mla":"Gao, Xinghui, et al. “Unidirectional Vortex Waveguides and Multistable Vortex Pairs in Polariton Condensates.” <i>Optics Letters</i>, vol. 47, no. 13, Optica Publishing Group, 2022, pp. 3235–38, doi:<a href=\"https://doi.org/10.1364/ol.457724\">10.1364/ol.457724</a>.","bibtex":"@article{Gao_Hu_Schumacher_Ma_2022, title={Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates}, volume={47}, DOI={<a href=\"https://doi.org/10.1364/ol.457724\">10.1364/ol.457724</a>}, number={13}, journal={Optics Letters}, publisher={Optica Publishing Group}, author={Gao, Xinghui and Hu, Wei and Schumacher, Stefan and Ma, Xuekai}, year={2022}, pages={3235–3238} }","short":"X. Gao, W. Hu, S. Schumacher, X. Ma, Optics Letters 47 (2022) 3235–3238."},"intvolume":"        47","page":"3235-3238","project":[{"name":"TRR 142: TRR 142","_id":"53"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"name":"TRR 142 - A4: TRR 142 - Subproject A4","_id":"61"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"_id":"32148","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"705"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"keyword":["Atomic and Molecular Physics","and Optics"],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Optics Letters","status":"public"},{"publication":"Symmetry","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"<jats:p>Multimode integrated interferometers have great potential for both spectral engineering and metrological applications. However, the material dispersion of integrated platforms constitutes an obstacle that limits the performance and precision of such interferometers. At the same time, two-colour nonlinear interferometers present an important tool for metrological applications, when measurements in a certain frequency range are difficult. In this manuscript, we theoretically developed and investigated an integrated multimode two-colour SU(1,1) interferometer operating in a supersensitive mode. By ensuring the proper design of the integrated platform, we suppressed the dispersion, thereby significantly increasing the visibility of the interference pattern. The use of a continuous wave pump laser provided the symmetry between the spectral shapes of the signal and idler photons concerning half the pump frequency, despite different photon colours. We demonstrate that such an interferometer overcomes the classical phase sensitivity limit for wide parametric gain ranges, when up to 3×104 photons are generated.</jats:p>"}],"department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"429"},{"_id":"230"},{"_id":"9"},{"_id":"27"}],"user_id":"16199","_id":"40371","project":[{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"56","name":"TRR 142 - C: TRR 142 - Project Area C"},{"_id":"72","name":"TRR 142 - C2: TRR 142 - Subproject C2"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"language":[{"iso":"eng"}],"keyword":["Physics and Astronomy (miscellaneous)","General Mathematics","Chemistry (miscellaneous)","Computer Science (miscellaneous)"],"article_number":"552","issue":"3","publication_identifier":{"issn":["2073-8994"]},"publication_status":"published","intvolume":"        14","citation":{"apa":"Ferreri, A., &#38; Sharapova, P. R. (2022). Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. <i>Symmetry</i>, <i>14</i>(3), Article 552. <a href=\"https://doi.org/10.3390/sym14030552\">https://doi.org/10.3390/sym14030552</a>","mla":"Ferreri, Alessandro, and Polina R. Sharapova. “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer.” <i>Symmetry</i>, vol. 14, no. 3, 552, MDPI AG, 2022, doi:<a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>.","short":"A. Ferreri, P.R. Sharapova, Symmetry 14 (2022).","bibtex":"@article{Ferreri_Sharapova_2022, title={Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer}, volume={14}, DOI={<a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>}, number={3552}, journal={Symmetry}, publisher={MDPI AG}, author={Ferreri, Alessandro and Sharapova, Polina R.}, year={2022} }","chicago":"Ferreri, Alessandro, and Polina R. Sharapova. “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer.” <i>Symmetry</i> 14, no. 3 (2022). <a href=\"https://doi.org/10.3390/sym14030552\">https://doi.org/10.3390/sym14030552</a>.","ieee":"A. Ferreri and P. R. Sharapova, “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer,” <i>Symmetry</i>, vol. 14, no. 3, Art. no. 552, 2022, doi: <a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>.","ama":"Ferreri A, Sharapova PR. Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. <i>Symmetry</i>. 2022;14(3). doi:<a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>"},"year":"2022","volume":14,"date_created":"2023-01-26T13:54:00Z","author":[{"full_name":"Ferreri, Alessandro","last_name":"Ferreri","first_name":"Alessandro"},{"last_name":"Sharapova","full_name":"Sharapova, Polina R.","id":"60286","first_name":"Polina R."}],"publisher":"MDPI AG","date_updated":"2025-12-16T11:27:11Z","doi":"10.3390/sym14030552","title":"Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer"},{"article_number":"10","keyword":["Condensed Matter Physics"],"language":[{"iso":"eng"}],"_id":"29168","user_id":"15164","department":[{"_id":"155"}],"abstract":[{"text":"<jats:title>Abstract</jats:title><jats:p>The homogeneous density of the liquid phase is experimentally investigated for methyl diethanolamine. Data are obtained along five isotherms in a temperature range between 300 K and 360 K for pressures up to 95 MPa. Two different apparatuses are used to measure the speed of sound for the temperatures between 322 K and 450 K with a maximum pressure of 95 MPa. These measurements and literature data are used to develop a fundamental equation of state for methyl diethanolamine. The model is formulated in terms of the Helmholtz energy and allows for the calculation of all thermodynamic properties in gaseous, liquid, supercritical, and saturation states. The experimental data are represented within their uncertainties. The physical and extrapolation behavior is validated qualitatively to ensure reasonable calculations outside of the range of validity. Based on the experimental datasets, the equation of state is valid for temperatures from 250 K to 750 K and pressures up to 100 MPa.</jats:p>","lang":"eng"}],"status":"public","type":"journal_article","publication":"International Journal of Thermophysics","title":"Thermodynamic Properties of Methyl Diethanolamine","doi":"10.1007/s10765-021-02933-7","publisher":"Springer Science and Business Media LLC","date_updated":"2022-01-06T09:45:32Z","author":[{"last_name":"Neumann","full_name":"Neumann, Tobias","first_name":"Tobias"},{"first_name":"Elmar","full_name":"Baumhögger, Elmar","id":"15164","last_name":"Baumhögger"},{"first_name":"Roland","last_name":"Span","full_name":"Span, Roland"},{"first_name":"Jadran","full_name":"Vrabec, Jadran","last_name":"Vrabec"},{"last_name":"Thol","full_name":"Thol, Monika","first_name":"Monika"}],"date_created":"2022-01-06T09:44:07Z","volume":43,"year":"2021","citation":{"chicago":"Neumann, Tobias, Elmar Baumhögger, Roland Span, Jadran Vrabec, and Monika Thol. “Thermodynamic Properties of Methyl Diethanolamine.” <i>International Journal of Thermophysics</i> 43, no. 1 (2021). <a href=\"https://doi.org/10.1007/s10765-021-02933-7\">https://doi.org/10.1007/s10765-021-02933-7</a>.","ieee":"T. Neumann, E. Baumhögger, R. Span, J. Vrabec, and M. Thol, “Thermodynamic Properties of Methyl Diethanolamine,” <i>International Journal of Thermophysics</i>, vol. 43, no. 1, Art. no. 10, 2021, doi: <a href=\"https://doi.org/10.1007/s10765-021-02933-7\">10.1007/s10765-021-02933-7</a>.","ama":"Neumann T, Baumhögger E, Span R, Vrabec J, Thol M. Thermodynamic Properties of Methyl Diethanolamine. <i>International Journal of Thermophysics</i>. 2021;43(1). doi:<a href=\"https://doi.org/10.1007/s10765-021-02933-7\">10.1007/s10765-021-02933-7</a>","apa":"Neumann, T., Baumhögger, E., Span, R., Vrabec, J., &#38; Thol, M. (2021). Thermodynamic Properties of Methyl Diethanolamine. <i>International Journal of Thermophysics</i>, <i>43</i>(1), Article 10. <a href=\"https://doi.org/10.1007/s10765-021-02933-7\">https://doi.org/10.1007/s10765-021-02933-7</a>","mla":"Neumann, Tobias, et al. “Thermodynamic Properties of Methyl Diethanolamine.” <i>International Journal of Thermophysics</i>, vol. 43, no. 1, 10, Springer Science and Business Media LLC, 2021, doi:<a href=\"https://doi.org/10.1007/s10765-021-02933-7\">10.1007/s10765-021-02933-7</a>.","bibtex":"@article{Neumann_Baumhögger_Span_Vrabec_Thol_2021, title={Thermodynamic Properties of Methyl Diethanolamine}, volume={43}, DOI={<a href=\"https://doi.org/10.1007/s10765-021-02933-7\">10.1007/s10765-021-02933-7</a>}, number={110}, journal={International Journal of Thermophysics}, publisher={Springer Science and Business Media LLC}, author={Neumann, Tobias and Baumhögger, Elmar and Span, Roland and Vrabec, Jadran and Thol, Monika}, year={2021} }","short":"T. Neumann, E. Baumhögger, R. Span, J. Vrabec, M. Thol, International Journal of Thermophysics 43 (2021)."},"intvolume":"        43","publication_status":"published","publication_identifier":{"issn":["0195-928X","1572-9567"]},"issue":"1"},{"publisher":"Royal Society of Chemistry (RSC)","date_created":"2022-03-05T11:22:22Z","title":"Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions","issue":"18","year":"2021","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"language":[{"iso":"eng"}],"publication":"Physical Chemistry Chemical Physics","abstract":[{"text":"<p>In this work the solubility of 15 amino acids and 18 peptides in aqueous 2-propanol solutions was successfully modelled using PC-SAFT that used recently determined experimental melting properties as input data.</p>","lang":"eng"}],"date_updated":"2022-03-26T08:03:40Z","volume":23,"author":[{"last_name":"Do","full_name":"Do, Hoang Tam","first_name":"Hoang Tam"},{"first_name":"Patrick","last_name":"Franke","id":"93922","full_name":"Franke, Patrick"},{"first_name":"Sophia","last_name":"Volpert","full_name":"Volpert, Sophia"},{"first_name":"Marcel","full_name":"Klinksiek, Marcel","last_name":"Klinksiek"},{"first_name":"Max","full_name":"Thome, Max","last_name":"Thome"},{"first_name":"Christoph","last_name":"Held","full_name":"Held, Christoph"}],"doi":"10.1039/d1cp00005e","publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published","page":"10852-10863","intvolume":"        23","citation":{"mla":"Do, Hoang Tam, et al. “Measurement and Modelling Solubility of Amino Acids and Peptides in Aqueous 2-Propanol Solutions.” <i>Physical Chemistry Chemical Physics</i>, vol. 23, no. 18, Royal Society of Chemistry (RSC), 2021, pp. 10852–63, doi:<a href=\"https://doi.org/10.1039/d1cp00005e\">10.1039/d1cp00005e</a>.","short":"H.T. Do, P. Franke, S. Volpert, M. Klinksiek, M. Thome, C. Held, Physical Chemistry Chemical Physics 23 (2021) 10852–10863.","bibtex":"@article{Do_Franke_Volpert_Klinksiek_Thome_Held_2021, title={Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions}, volume={23}, DOI={<a href=\"https://doi.org/10.1039/d1cp00005e\">10.1039/d1cp00005e</a>}, number={18}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Do, Hoang Tam and Franke, Patrick and Volpert, Sophia and Klinksiek, Marcel and Thome, Max and Held, Christoph}, year={2021}, pages={10852–10863} }","apa":"Do, H. T., Franke, P., Volpert, S., Klinksiek, M., Thome, M., &#38; Held, C. (2021). Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions. <i>Physical Chemistry Chemical Physics</i>, <i>23</i>(18), 10852–10863. <a href=\"https://doi.org/10.1039/d1cp00005e\">https://doi.org/10.1039/d1cp00005e</a>","ama":"Do HT, Franke P, Volpert S, Klinksiek M, Thome M, Held C. Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions. <i>Physical Chemistry Chemical Physics</i>. 2021;23(18):10852-10863. doi:<a href=\"https://doi.org/10.1039/d1cp00005e\">10.1039/d1cp00005e</a>","chicago":"Do, Hoang Tam, Patrick Franke, Sophia Volpert, Marcel Klinksiek, Max Thome, and Christoph Held. “Measurement and Modelling Solubility of Amino Acids and Peptides in Aqueous 2-Propanol Solutions.” <i>Physical Chemistry Chemical Physics</i> 23, no. 18 (2021): 10852–63. <a href=\"https://doi.org/10.1039/d1cp00005e\">https://doi.org/10.1039/d1cp00005e</a>.","ieee":"H. T. Do, P. Franke, S. Volpert, M. Klinksiek, M. Thome, and C. Held, “Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions,” <i>Physical Chemistry Chemical Physics</i>, vol. 23, no. 18, pp. 10852–10863, 2021, doi: <a href=\"https://doi.org/10.1039/d1cp00005e\">10.1039/d1cp00005e</a>."},"_id":"30208","user_id":"93922","extern":"1","type":"journal_article","status":"public"},{"intvolume":"      2021","citation":{"ieee":"L. Dabelow, S. Bo, and R. Eichhorn, “How irreversible are steady-state trajectories of a trapped active particle?,” <i>Journal of Statistical Mechanics: Theory and Experiment</i>, vol. 2021, no. 3, Art. no. 033216, 2021, doi: <a href=\"https://doi.org/10.1088/1742-5468/abe6fd\">10.1088/1742-5468/abe6fd</a>.","chicago":"Dabelow, Lennart, Stefano Bo, and Ralf Eichhorn. “How Irreversible Are Steady-State Trajectories of a Trapped Active Particle?” <i>Journal of Statistical Mechanics: Theory and Experiment</i> 2021, no. 3 (2021). <a href=\"https://doi.org/10.1088/1742-5468/abe6fd\">https://doi.org/10.1088/1742-5468/abe6fd</a>.","ama":"Dabelow L, Bo S, Eichhorn R. How irreversible are steady-state trajectories of a trapped active particle? <i>Journal of Statistical Mechanics: Theory and Experiment</i>. 2021;2021(3). doi:<a href=\"https://doi.org/10.1088/1742-5468/abe6fd\">10.1088/1742-5468/abe6fd</a>","apa":"Dabelow, L., Bo, S., &#38; Eichhorn, R. (2021). How irreversible are steady-state trajectories of a trapped active particle? <i>Journal of Statistical Mechanics: Theory and Experiment</i>, <i>2021</i>(3), Article 033216. <a href=\"https://doi.org/10.1088/1742-5468/abe6fd\">https://doi.org/10.1088/1742-5468/abe6fd</a>","short":"L. Dabelow, S. Bo, R. Eichhorn, Journal of Statistical Mechanics: Theory and Experiment 2021 (2021).","bibtex":"@article{Dabelow_Bo_Eichhorn_2021, title={How irreversible are steady-state trajectories of a trapped active particle?}, volume={2021}, DOI={<a href=\"https://doi.org/10.1088/1742-5468/abe6fd\">10.1088/1742-5468/abe6fd</a>}, number={3033216}, journal={Journal of Statistical Mechanics: Theory and Experiment}, publisher={IOP Publishing}, author={Dabelow, Lennart and Bo, Stefano and Eichhorn, Ralf}, year={2021} }","mla":"Dabelow, Lennart, et al. “How Irreversible Are Steady-State Trajectories of a Trapped Active Particle?” <i>Journal of Statistical Mechanics: Theory and Experiment</i>, vol. 2021, no. 3, 033216, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/1742-5468/abe6fd\">10.1088/1742-5468/abe6fd</a>."},"publication_identifier":{"issn":["1742-5468"]},"publication_status":"published","doi":"10.1088/1742-5468/abe6fd","date_updated":"2022-06-28T07:28:14Z","volume":2021,"author":[{"full_name":"Dabelow, Lennart","last_name":"Dabelow","first_name":"Lennart"},{"first_name":"Stefano","full_name":"Bo, Stefano","last_name":"Bo"},{"first_name":"Ralf","full_name":"Eichhorn, Ralf","last_name":"Eichhorn"}],"status":"public","type":"journal_article","article_number":"033216","_id":"32243","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"27"}],"user_id":"15278","year":"2021","issue":"3","title":"How irreversible are steady-state trajectories of a trapped active particle?","publisher":"IOP Publishing","date_created":"2022-06-28T07:27:41Z","abstract":[{"text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>The defining feature of active particles is that they constantly propel themselves by locally converting chemical energy into directed motion. This active self-propulsion prevents them from equilibrating with their thermal environment (e.g. an aqueous solution), thus keeping them permanently out of equilibrium. Nevertheless, the spatial dynamics of active particles might share certain equilibrium features, in particular in the steady state. We here focus on the time-reversal symmetry of individual spatial trajectories as a distinct equilibrium characteristic. We investigate to what extent the steady-state trajectories of a trapped active particle obey or break this time-reversal symmetry. Within the framework of active Ornstein–Uhlenbeck particles we find that the steady-state trajectories in a harmonic potential fulfill path-wise time-reversal symmetry exactly, while this symmetry is typically broken in anharmonic potentials.</jats:p>","lang":"eng"}],"publication":"Journal of Statistical Mechanics: Theory and Experiment","keyword":["Statistics","Probability and Uncertainty","Statistics and Probability","Statistical and Nonlinear Physics"],"language":[{"iso":"eng"}]},{"citation":{"ieee":"T. Brögelmann <i>et al.</i>, “Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions,” <i>Journal of Physics D: Applied Physics</i>, vol. 55, no. 3, Art. no. 035204, 2021, doi: <a href=\"https://doi.org/10.1088/1361-6463/ac2e31\">10.1088/1361-6463/ac2e31</a>.","chicago":"Brögelmann, T, K Bobzin, Guido Grundmeier, T de los Arcos, N C Kruppe, S Schwiderek, and M Carlet. “Durability of Nanolayer Ti–Al–O–N Hard Coatings under Simulated Polycarbonate Melt Processing Conditions.” <i>Journal of Physics D: Applied Physics</i> 55, no. 3 (2021). <a href=\"https://doi.org/10.1088/1361-6463/ac2e31\">https://doi.org/10.1088/1361-6463/ac2e31</a>.","ama":"Brögelmann T, Bobzin K, Grundmeier G, et al. Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions. <i>Journal of Physics D: Applied Physics</i>. 2021;55(3). doi:<a href=\"https://doi.org/10.1088/1361-6463/ac2e31\">10.1088/1361-6463/ac2e31</a>","bibtex":"@article{Brögelmann_Bobzin_Grundmeier_de los Arcos_Kruppe_Schwiderek_Carlet_2021, title={Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions}, volume={55}, DOI={<a href=\"https://doi.org/10.1088/1361-6463/ac2e31\">10.1088/1361-6463/ac2e31</a>}, number={3035204}, journal={Journal of Physics D: Applied Physics}, publisher={IOP Publishing}, author={Brögelmann, T and Bobzin, K and Grundmeier, Guido and de los Arcos, T and Kruppe, N C and Schwiderek, S and Carlet, M}, year={2021} }","mla":"Brögelmann, T., et al. “Durability of Nanolayer Ti–Al–O–N Hard Coatings under Simulated Polycarbonate Melt Processing Conditions.” <i>Journal of Physics D: Applied Physics</i>, vol. 55, no. 3, 035204, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/1361-6463/ac2e31\">10.1088/1361-6463/ac2e31</a>.","short":"T. Brögelmann, K. Bobzin, G. Grundmeier, T. de los Arcos, N.C. Kruppe, S. Schwiderek, M. Carlet, Journal of Physics D: Applied Physics 55 (2021).","apa":"Brögelmann, T., Bobzin, K., Grundmeier, G., de los Arcos, T., Kruppe, N. C., Schwiderek, S., &#38; Carlet, M. (2021). Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions. <i>Journal of Physics D: Applied Physics</i>, <i>55</i>(3), Article 035204. <a href=\"https://doi.org/10.1088/1361-6463/ac2e31\">https://doi.org/10.1088/1361-6463/ac2e31</a>"},"intvolume":"        55","year":"2021","issue":"3","publication_status":"published","publication_identifier":{"issn":["0022-3727","1361-6463"]},"doi":"10.1088/1361-6463/ac2e31","title":"Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions","date_created":"2022-12-21T09:32:09Z","author":[{"last_name":"Brögelmann","full_name":"Brögelmann, T","first_name":"T"},{"full_name":"Bobzin, K","last_name":"Bobzin","first_name":"K"},{"first_name":"Guido","full_name":"Grundmeier, Guido","id":"194","last_name":"Grundmeier"},{"first_name":"T","full_name":"de los Arcos, T","last_name":"de los Arcos"},{"full_name":"Kruppe, N C","last_name":"Kruppe","first_name":"N C"},{"full_name":"Schwiderek, S","last_name":"Schwiderek","first_name":"S"},{"first_name":"M","last_name":"Carlet","full_name":"Carlet, M"}],"volume":55,"date_updated":"2022-12-21T09:32:39Z","publisher":"IOP Publishing","status":"public","type":"journal_article","publication":"Journal of Physics D: Applied Physics","language":[{"iso":"eng"}],"article_number":"035204","keyword":["Surfaces","Coatings and Films","Acoustics and Ultrasonics","Condensed Matter Physics","Electronic","Optical and Magnetic Materials"],"user_id":"48864","department":[{"_id":"302"}],"_id":"34647"},{"publisher":"Wiley","date_updated":"2022-12-21T09:31:52Z","date_created":"2022-12-21T09:30:44Z","author":[{"last_name":"Tripathi","full_name":"Tripathi, Tripurari Sharan","first_name":"Tripurari Sharan"},{"full_name":"Wilken, Martin","last_name":"Wilken","first_name":"Martin"},{"id":"27401","full_name":"Hoppe, Christian","last_name":"Hoppe","first_name":"Christian"},{"last_name":"de los Arcos","full_name":"de los Arcos, Teresa","first_name":"Teresa"},{"last_name":"Grundmeier","id":"194","full_name":"Grundmeier, Guido","first_name":"Guido"},{"full_name":"Devi, Anjana","last_name":"Devi","first_name":"Anjana"},{"first_name":"Maarit","full_name":"Karppinen, Maarit","last_name":"Karppinen"}],"volume":23,"title":"Atomic Layer Deposition of Copper Metal Films from Cu(acac)            <sub>2</sub>            and Hydroquinone Reductant","doi":"10.1002/adem.202100446","publication_status":"published","publication_identifier":{"issn":["1438-1656","1527-2648"]},"issue":"10","year":"2021","citation":{"apa":"Tripathi, T. S., Wilken, M., Hoppe, C., de los Arcos, T., Grundmeier, G., Devi, A., &#38; Karppinen, M. (2021). Atomic Layer Deposition of Copper Metal Films from Cu(acac)            <sub>2</sub>            and Hydroquinone Reductant. <i>Advanced Engineering Materials</i>, <i>23</i>(10), Article 2100446. <a href=\"https://doi.org/10.1002/adem.202100446\">https://doi.org/10.1002/adem.202100446</a>","short":"T.S. Tripathi, M. Wilken, C. Hoppe, T. de los Arcos, G. Grundmeier, A. Devi, M. Karppinen, Advanced Engineering Materials 23 (2021).","bibtex":"@article{Tripathi_Wilken_Hoppe_de los Arcos_Grundmeier_Devi_Karppinen_2021, title={Atomic Layer Deposition of Copper Metal Films from Cu(acac)            <sub>2</sub>            and Hydroquinone Reductant}, volume={23}, DOI={<a href=\"https://doi.org/10.1002/adem.202100446\">10.1002/adem.202100446</a>}, number={102100446}, journal={Advanced Engineering Materials}, publisher={Wiley}, author={Tripathi, Tripurari Sharan and Wilken, Martin and Hoppe, Christian and de los Arcos, Teresa and Grundmeier, Guido and Devi, Anjana and Karppinen, Maarit}, year={2021} }","mla":"Tripathi, Tripurari Sharan, et al. “Atomic Layer Deposition of Copper Metal Films from Cu(Acac)            <sub>2</sub>            and Hydroquinone Reductant.” <i>Advanced Engineering Materials</i>, vol. 23, no. 10, 2100446, Wiley, 2021, doi:<a href=\"https://doi.org/10.1002/adem.202100446\">10.1002/adem.202100446</a>.","ieee":"T. S. Tripathi <i>et al.</i>, “Atomic Layer Deposition of Copper Metal Films from Cu(acac)            <sub>2</sub>            and Hydroquinone Reductant,” <i>Advanced Engineering Materials</i>, vol. 23, no. 10, Art. no. 2100446, 2021, doi: <a href=\"https://doi.org/10.1002/adem.202100446\">10.1002/adem.202100446</a>.","chicago":"Tripathi, Tripurari Sharan, Martin Wilken, Christian Hoppe, Teresa de los Arcos, Guido Grundmeier, Anjana Devi, and Maarit Karppinen. “Atomic Layer Deposition of Copper Metal Films from Cu(Acac)            <sub>2</sub>            and Hydroquinone Reductant.” <i>Advanced Engineering Materials</i> 23, no. 10 (2021). <a href=\"https://doi.org/10.1002/adem.202100446\">https://doi.org/10.1002/adem.202100446</a>.","ama":"Tripathi TS, Wilken M, Hoppe C, et al. Atomic Layer Deposition of Copper Metal Films from Cu(acac)            <sub>2</sub>            and Hydroquinone Reductant. <i>Advanced Engineering Materials</i>. 2021;23(10). doi:<a href=\"https://doi.org/10.1002/adem.202100446\">10.1002/adem.202100446</a>"},"intvolume":"        23","_id":"34645","user_id":"48864","department":[{"_id":"302"}],"article_number":"2100446","keyword":["Condensed Matter Physics","General Materials Science"],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Advanced Engineering Materials","status":"public"},{"publisher":"IOP Publishing","date_created":"2022-10-09T15:25:09Z","title":"On topological materials as photocatalysts for water splitting by visible light","issue":"1","year":"2021","keyword":["Condensed Matter Physics","General Materials Science","Atomic and Molecular Physics","and Optics"],"language":[{"iso":"eng"}],"publication":"Journal of Physics: Materials","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>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.</jats:p>"}],"date_updated":"2022-10-09T15:25:19Z","volume":5,"author":[{"first_name":"Ahmad","full_name":"Ranjbar, Ahmad","last_name":"Ranjbar"},{"first_name":"Hossein","last_name":"Mirhosseini","full_name":"Mirhosseini, Hossein"},{"last_name":"Kühne","full_name":"Kühne, Thomas D","first_name":"Thomas D"}],"doi":"10.1088/2515-7639/ac363d","publication_identifier":{"issn":["2515-7639"]},"publication_status":"published","intvolume":"         5","citation":{"apa":"Ranjbar, A., Mirhosseini, H., &#38; Kühne, T. D. (2021). On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>, <i>5</i>(1), Article 015001. <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>","mla":"Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","short":"A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5 (2021).","bibtex":"@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>}, number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}, year={2021} }","chicago":"Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas D Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i> 5, no. 1 (2021). <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>.","ieee":"A. Ranjbar, H. Mirhosseini, and T. D. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, Art. no. 015001, 2021, doi: <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","ama":"Ranjbar A, Mirhosseini H, Kühne TD. On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>. 2021;5(1). doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>"},"_id":"33587","department":[{"_id":"613"}],"user_id":"71051","article_number":"015001","type":"journal_article","status":"public"},{"publication":"The Journal of Chemical Physics","type":"journal_article","status":"public","_id":"33648","department":[{"_id":"613"}],"user_id":"71051","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"article_number":"074107","language":[{"iso":"eng"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"publication_status":"published","issue":"7","year":"2021","intvolume":"       154","citation":{"ieee":"A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,” <i>The Journal of Chemical Physics</i>, vol. 154, no. 7, Art. no. 074107, 2021, doi: <a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>.","chicago":"Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” <i>The Journal of Chemical Physics</i> 154, no. 7 (2021). <a href=\"https://doi.org/10.1063/5.0037319\">https://doi.org/10.1063/5.0037319</a>.","ama":"Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional of non-interacting fermions. <i>The Journal of Chemical Physics</i>. 2021;154(7). doi:<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>","bibtex":"@article{Ghasemi_Kühne_2021, title={Artificial neural networks for the kinetic energy functional of non-interacting fermions}, volume={154}, DOI={<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>}, number={7074107}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ghasemi, Alireza and Kühne, Thomas}, year={2021} }","short":"A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).","mla":"Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” <i>The Journal of Chemical Physics</i>, vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>.","apa":"Ghasemi, A., &#38; Kühne, T. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. <i>The Journal of Chemical Physics</i>, <i>154</i>(7), Article 074107. <a href=\"https://doi.org/10.1063/5.0037319\">https://doi.org/10.1063/5.0037319</a>"},"date_updated":"2022-10-10T08:14:57Z","publisher":"AIP Publishing","volume":154,"author":[{"first_name":"Alireza","full_name":"Ghasemi, Alireza","id":"77282","last_name":"Ghasemi"},{"full_name":"Kühne, Thomas","id":"49079","last_name":"Kühne","first_name":"Thomas"}],"date_created":"2022-10-10T08:14:44Z","title":"Artificial neural networks for the kinetic energy functional of non-interacting fermions","doi":"10.1063/5.0037319"},{"keyword":["Computational Mathematics","General Physics and Astronomy","Mechanics of Materials","General Materials Science","General Chemistry","General Computer Science"],"article_number":"110567","language":[{"iso":"eng"}],"_id":"33657","department":[{"_id":"613"}],"user_id":"71051","status":"public","publication":"Computational Materials Science","type":"journal_article","title":"An automated approach for developing neural network interatomic potentials with FLAME","doi":"10.1016/j.commatsci.2021.110567","date_updated":"2022-10-10T08:24:13Z","publisher":"Elsevier BV","volume":197,"author":[{"first_name":"Hossein","id":"71051","full_name":"Mirhosseini, Hossein","orcid":"0000-0001-6179-1545","last_name":"Mirhosseini"},{"last_name":"Tahmasbi","full_name":"Tahmasbi, Hossein","first_name":"Hossein"},{"first_name":"Sai Ram","last_name":"Kuchana","full_name":"Kuchana, Sai Ram"},{"first_name":"Alireza","id":"77282","full_name":"Ghasemi, Alireza","last_name":"Ghasemi"},{"full_name":"Kühne, Thomas","id":"49079","last_name":"Kühne","first_name":"Thomas"}],"date_created":"2022-10-10T08:23:50Z","year":"2021","intvolume":"       197","citation":{"mla":"Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” <i>Computational Materials Science</i>, vol. 197, 110567, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>.","bibtex":"@article{Mirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title={An automated approach for developing neural network interatomic potentials with FLAME}, volume={197}, DOI={<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>}, number={110567}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and Ghasemi, Alireza and Kühne, Thomas}, year={2021} }","short":"H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).","apa":"Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., &#38; Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. <i>Computational Materials Science</i>, <i>197</i>, Article 110567. <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">https://doi.org/10.1016/j.commatsci.2021.110567</a>","ama":"Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach for developing neural network interatomic potentials with FLAME. <i>Computational Materials Science</i>. 2021;197. doi:<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>","ieee":"H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An automated approach for developing neural network interatomic potentials with FLAME,” <i>Computational Materials Science</i>, vol. 197, Art. no. 110567, 2021, doi: <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>.","chicago":"Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” <i>Computational Materials Science</i> 197 (2021). <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">https://doi.org/10.1016/j.commatsci.2021.110567</a>."},"publication_identifier":{"issn":["0927-0256"]},"publication_status":"published"},{"issue":"1","publication_identifier":{"issn":["2515-7639"]},"publication_status":"published","intvolume":"         5","citation":{"ieee":"A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, Art. no. 015001, 2021, doi: <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","chicago":"Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i> 5, no. 1 (2021). <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>.","ama":"Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>. 2021;5(1). doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>","apa":"Ranjbar, A., Mirhosseini, H., &#38; Kühne, T. (2021). On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>, <i>5</i>(1), Article 015001. <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>","mla":"Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","bibtex":"@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>}, number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }","short":"A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021)."},"year":"2021","volume":5,"author":[{"first_name":"Ahmad","full_name":"Ranjbar, Ahmad","last_name":"Ranjbar"},{"id":"71051","full_name":"Mirhosseini, Hossein","last_name":"Mirhosseini","orcid":"0000-0001-6179-1545","first_name":"Hossein"},{"first_name":"Thomas","id":"49079","full_name":"Kühne, Thomas","last_name":"Kühne"}],"date_created":"2022-10-10T08:25:19Z","date_updated":"2022-10-10T08:25:30Z","publisher":"IOP Publishing","doi":"10.1088/2515-7639/ac363d","title":"On topological materials as photocatalysts for water splitting by visible light","publication":"Journal of Physics: Materials","type":"journal_article","status":"public","abstract":[{"text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>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.</jats:p>","lang":"eng"}],"department":[{"_id":"613"}],"user_id":"71051","_id":"33659","language":[{"iso":"eng"}],"keyword":["Condensed Matter Physics","General Materials Science","Atomic and Molecular Physics","and Optics"],"article_number":"015001"},{"title":"Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer","doi":"10.1016/j.ijheatmasstransfer.2021.121536","publisher":"Elsevier BV","date_updated":"2023-01-07T10:25:55Z","date_created":"2023-01-06T12:20:46Z","author":[{"first_name":"Martin","last_name":"Wortmann","full_name":"Wortmann, Martin"},{"first_name":"Klaus","full_name":"Viertel, Klaus","last_name":"Viertel"},{"first_name":"Alexander","last_name":"Welle","full_name":"Welle, Alexander"},{"full_name":"Keil, Waldemar","last_name":"Keil","first_name":"Waldemar"},{"full_name":"Frese, Natalie","last_name":"Frese","first_name":"Natalie"},{"first_name":"Wiebke","last_name":"Hachmann","full_name":"Hachmann, Wiebke"},{"last_name":"Krieger","full_name":"Krieger, Philipp","first_name":"Philipp"},{"first_name":"Johannes","last_name":"Brikmann","full_name":"Brikmann, Johannes"},{"full_name":"Schmidt, Claudia","id":"466","last_name":"Schmidt","orcid":"0000-0003-3179-9997","first_name":"Claudia"},{"last_name":"Moritzer","full_name":"Moritzer, Elmar","id":"20531","first_name":"Elmar"},{"first_name":"Bruno","full_name":"Hüsgen, Bruno","last_name":"Hüsgen"}],"volume":177,"year":"2021","citation":{"ieee":"M. Wortmann <i>et al.</i>, “Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer,” <i>International Journal of Heat and Mass Transfer</i>, vol. 177, Art. no. 121536, 2021, doi: <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>.","chicago":"Wortmann, Martin, Klaus Viertel, Alexander Welle, Waldemar Keil, Natalie Frese, Wiebke Hachmann, Philipp Krieger, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate in Silicone Elastomer.” <i>International Journal of Heat and Mass Transfer</i> 177 (2021). <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536</a>.","ama":"Wortmann M, Viertel K, Welle A, et al. Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. <i>International Journal of Heat and Mass Transfer</i>. 2021;177. doi:<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>","short":"M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger, J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat and Mass Transfer 177 (2021).","mla":"Wortmann, Martin, et al. “Anomalous Bulk Diffusion of Methylene Diphenyl Diisocyanate in Silicone Elastomer.” <i>International Journal of Heat and Mass Transfer</i>, vol. 177, 121536, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>.","bibtex":"@article{Wortmann_Viertel_Welle_Keil_Frese_Hachmann_Krieger_Brikmann_Schmidt_Moritzer_et al._2021, title={Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer}, volume={177}, DOI={<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">10.1016/j.ijheatmasstransfer.2021.121536</a>}, number={121536}, journal={International Journal of Heat and Mass Transfer}, publisher={Elsevier BV}, author={Wortmann, Martin and Viertel, Klaus and Welle, Alexander and Keil, Waldemar and Frese, Natalie and Hachmann, Wiebke and Krieger, Philipp and Brikmann, Johannes and Schmidt, Claudia and Moritzer, Elmar and et al.}, year={2021} }","apa":"Wortmann, M., Viertel, K., Welle, A., Keil, W., Frese, N., Hachmann, W., Krieger, P., Brikmann, J., Schmidt, C., Moritzer, E., &#38; Hüsgen, B. (2021). Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer. <i>International Journal of Heat and Mass Transfer</i>, <i>177</i>, Article 121536. <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536\">https://doi.org/10.1016/j.ijheatmasstransfer.2021.121536</a>"},"intvolume":"       177","publication_status":"published","quality_controlled":"1","publication_identifier":{"issn":["0017-9310"]},"article_number":"121536","article_type":"original","keyword":["Fluid Flow and Transfer Processes","Mechanical Engineering","Condensed Matter Physics"],"language":[{"iso":"eng"}],"_id":"35327","user_id":"466","department":[{"_id":"2"},{"_id":"9"},{"_id":"315"}],"status":"public","type":"journal_article","publication":"International Journal of Heat and Mass Transfer"},{"user_id":"22501","_id":"47963","extern":"1","article_number":"288","article_type":"original","type":"journal_article","status":"public","volume":11,"author":[{"full_name":"Reitzig, Sven","last_name":"Reitzig","first_name":"Sven"},{"first_name":"Michael","last_name":"Rüsing","orcid":"0000-0003-4682-4577","full_name":"Rüsing, Michael","id":"22501"},{"first_name":"Jie","full_name":"Zhao, Jie","last_name":"Zhao"},{"full_name":"Kirbus, Benjamin","last_name":"Kirbus","first_name":"Benjamin"},{"first_name":"Shayan","last_name":"Mookherjea","full_name":"Mookherjea, Shayan"},{"full_name":"Eng, Lukas M.","last_name":"Eng","first_name":"Lukas M."}],"date_updated":"2023-10-11T08:20:25Z","doi":"10.3390/cryst11030288","publication_identifier":{"issn":["2073-4352"]},"publication_status":"published","intvolume":"        11","citation":{"mla":"Reitzig, Sven, et al. “‘Seeing Is Believing’—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films.” <i>Crystals</i>, vol. 11, no. 3, 288, MDPI AG, 2021, doi:<a href=\"https://doi.org/10.3390/cryst11030288\">10.3390/cryst11030288</a>.","bibtex":"@article{Reitzig_Rüsing_Zhao_Kirbus_Mookherjea_Eng_2021, title={“Seeing Is Believing”—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films}, volume={11}, DOI={<a href=\"https://doi.org/10.3390/cryst11030288\">10.3390/cryst11030288</a>}, number={3288}, journal={Crystals}, publisher={MDPI AG}, author={Reitzig, Sven and Rüsing, Michael and Zhao, Jie and Kirbus, Benjamin and Mookherjea, Shayan and Eng, Lukas M.}, year={2021} }","short":"S. Reitzig, M. Rüsing, J. Zhao, B. Kirbus, S. Mookherjea, L.M. Eng, Crystals 11 (2021).","apa":"Reitzig, S., Rüsing, M., Zhao, J., Kirbus, B., Mookherjea, S., &#38; Eng, L. M. (2021). “Seeing Is Believing”—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films. <i>Crystals</i>, <i>11</i>(3), Article 288. <a href=\"https://doi.org/10.3390/cryst11030288\">https://doi.org/10.3390/cryst11030288</a>","ieee":"S. Reitzig, M. Rüsing, J. Zhao, B. Kirbus, S. Mookherjea, and L. M. Eng, “‘Seeing Is Believing’—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films,” <i>Crystals</i>, vol. 11, no. 3, Art. no. 288, 2021, doi: <a href=\"https://doi.org/10.3390/cryst11030288\">10.3390/cryst11030288</a>.","chicago":"Reitzig, Sven, Michael Rüsing, Jie Zhao, Benjamin Kirbus, Shayan Mookherjea, and Lukas M. Eng. “‘Seeing Is Believing’—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films.” <i>Crystals</i> 11, no. 3 (2021). <a href=\"https://doi.org/10.3390/cryst11030288\">https://doi.org/10.3390/cryst11030288</a>.","ama":"Reitzig S, Rüsing M, Zhao J, Kirbus B, Mookherjea S, Eng LM. “Seeing Is Believing”—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films. <i>Crystals</i>. 2021;11(3). doi:<a href=\"https://doi.org/10.3390/cryst11030288\">10.3390/cryst11030288</a>"},"language":[{"iso":"eng"}],"keyword":["Inorganic Chemistry","Condensed Matter Physics","General Materials Science","General Chemical Engineering"],"publication":"Crystals","abstract":[{"text":"Nonlinear and quantum optical devices based on periodically-poled thin film lithium niobate (PP-TFLN) have gained considerable interest lately, due to their significantly improved performance as compared to their bulk counterparts. Nevertheless, performance parameters such as conversion efficiency, minimum pump power, and spectral bandwidth strongly depend on the quality of the domain structure in these PP-TFLN samples, e.g., their homogeneity and duty cycle, as well as on the overlap and penetration depth of domains with the waveguide mode. Hence, in order to propose improved fabrication protocols, a profound quality control of domain structures is needed that allows quantifying and thoroughly analyzing these parameters. In this paper, we propose to combine a set of nanometer-to-micrometer-scale imaging techniques, i.e., piezoresponse force microscopy (PFM), second-harmonic generation (SHG), and Raman spectroscopy (RS), to access the relevant and crucial sample properties through cross-correlating these methods. Based on our findings, we designate SHG to be the best-suited standard imaging technique for this purpose, in particular when investigating the domain poling process in x-cut TFLNs. While PFM is excellently recommended for near-surface high-resolution imaging, RS provides thorough insights into stress and/or defect distributions, as associated with these domain structures. In this context, our work here indicates unexpectedly large signs for internal fields occurring in x-cut PP-TFLNs that are substantially larger as compared to previous observations in bulk LN.","lang":"eng"}],"date_created":"2023-10-11T08:19:51Z","publisher":"MDPI AG","title":"“Seeing Is Believing”—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films","issue":"3","quality_controlled":"1","year":"2021"}]