--- _id: '26539' abstract: - lang: eng text: In control design most control strategies are model-based and require accurate models to be applied successfully. Due to simplifications and the model-reality-gap physics-derived models frequently exhibit deviations from real-world-systems. Likewise, purely data-driven methods often do not generalise well enough and may violate physical laws. Recently Physics-Guided Neural Networks (PGNN) and physics-inspired loss functions separately have shown promising results to conquer these drawbacks. In this contribution we extend existing methods towards the identification of non-autonomous systems and propose a combined approach PGNN-L, which uses a PGNN and a physics-inspired loss term (-L) to successfully identify the system's dynamics, while maintaining the consistency with physical laws. The proposed method is demonstrated on two real-world nonlinear systems and outperforms existing techniques regarding complexity and reliability. author: - first_name: Ricarda-Samantha full_name: Götte, Ricarda-Samantha id: '43992' last_name: Götte - first_name: Julia full_name: Timmermann, Julia id: '15402' last_name: Timmermann citation: ama: 'Götte R-S, Timmermann J. Composed Physics- and Data-driven System Identification for Non-autonomous Systems in Control Engineering. In: 2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC). ; 2022:67-76. doi:10.1109/AIRC56195.2022.9836982' apa: Götte, R.-S., & Timmermann, J. (2022). Composed Physics- and Data-driven System Identification for Non-autonomous Systems in Control Engineering. 2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC), 67–76. https://doi.org/10.1109/AIRC56195.2022.9836982 bibtex: '@inproceedings{Götte_Timmermann_2022, title={Composed Physics- and Data-driven System Identification for Non-autonomous Systems in Control Engineering}, DOI={10.1109/AIRC56195.2022.9836982}, booktitle={2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC)}, author={Götte, Ricarda-Samantha and Timmermann, Julia}, year={2022}, pages={67–76} }' chicago: Götte, Ricarda-Samantha, and Julia Timmermann. “Composed Physics- and Data-Driven System Identification for Non-Autonomous Systems in Control Engineering.” In 2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC), 67–76, 2022. https://doi.org/10.1109/AIRC56195.2022.9836982. ieee: 'R.-S. Götte and J. Timmermann, “Composed Physics- and Data-driven System Identification for Non-autonomous Systems in Control Engineering,” in 2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC), Cairo, Egypt, 2022, pp. 67–76, doi: 10.1109/AIRC56195.2022.9836982.' mla: Götte, Ricarda-Samantha, and Julia Timmermann. “Composed Physics- and Data-Driven System Identification for Non-Autonomous Systems in Control Engineering.” 2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC), 2022, pp. 67–76, doi:10.1109/AIRC56195.2022.9836982. short: 'R.-S. Götte, J. Timmermann, in: 2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC), 2022, pp. 67–76.' conference: end_date: 2021-12-10 location: Cairo, Egypt name: 3rd International Conference on Artificial Intelligence, Robotics and Control start_date: 2021-12-08 date_created: 2021-10-19T14:47:17Z date_updated: 2024-11-13T08:43:28Z department: - _id: '153' - _id: '880' doi: 10.1109/AIRC56195.2022.9836982 keyword: - data-driven - physics-based - physics-informed - neural networks - system identification - hybrid modelling language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2112.08148 oa: '1' page: 67-76 publication: 2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC) quality_controlled: '1' status: public title: Composed Physics- and Data-driven System Identification for Non-autonomous Systems in Control Engineering type: conference user_id: '43992' year: '2022' ... --- _id: '31066' 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. ' author: - first_name: Oliver full_name: Schön, Oliver last_name: Schön - first_name: Ricarda-Samantha full_name: Götte, Ricarda-Samantha id: '43992' last_name: Götte - first_name: Julia full_name: Timmermann, Julia id: '15402' last_name: Timmermann citation: ama: 'Schön O, Götte R-S, Timmermann J. Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems. In: 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022). Vol 55. ; 2022:19-24. doi:https://doi.org/10.1016/j.ifacol.2022.07.282' apa: Schön, O., Götte, R.-S., & Timmermann, J. (2022). Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems. 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022), 55(12), 19–24. https://doi.org/10.1016/j.ifacol.2022.07.282 bibtex: '@inproceedings{Schön_Götte_Timmermann_2022, title={Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems}, volume={55}, DOI={https://doi.org/10.1016/j.ifacol.2022.07.282}, 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} }' chicago: Schön, Oliver, Ricarda-Samantha Götte, and Julia Timmermann. “Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems.” In 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022), 55:19–24, 2022. https://doi.org/10.1016/j.ifacol.2022.07.282. ieee: 'O. Schön, R.-S. Götte, and J. Timmermann, “Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems,” in 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022), Casablanca, Morocco, 2022, vol. 55, no. 12, pp. 19–24, doi: https://doi.org/10.1016/j.ifacol.2022.07.282.' mla: Schön, Oliver, et al. “Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems.” 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022), vol. 55, no. 12, 2022, pp. 19–24, doi:https://doi.org/10.1016/j.ifacol.2022.07.282. short: 'O. Schön, R.-S. Götte, J. Timmermann, in: 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022), 2022, pp. 19–24.' 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_created: 2022-05-05T06:22:55Z date_updated: 2024-11-13T08:43:16Z department: - _id: '153' - _id: '880' doi: https://doi.org/10.1016/j.ifacol.2022.07.282 intvolume: ' 55' issue: '12' keyword: - neural networks - physics-guided - data-driven - multi-objective optimization - system identification - machine learning - dynamical systems language: - iso: eng page: 19-24 publication: 14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022) quality_controlled: '1' status: public title: Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems type: conference user_id: '43992' volume: 55 year: '2022' ... --- _id: '32088' abstract: - lang: eng 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. article_type: original author: - first_name: Sergey S. full_name: Kruk, Sergey S. last_name: Kruk - first_name: Lei full_name: Wang, Lei last_name: Wang - first_name: Basudeb full_name: Sain, Basudeb last_name: Sain - first_name: Zhaogang full_name: Dong, Zhaogang last_name: Dong - first_name: Joel full_name: Yang, Joel last_name: Yang - first_name: Thomas full_name: Zentgraf, Thomas id: '30525' last_name: Zentgraf orcid: 0000-0002-8662-1101 - first_name: Yuri full_name: Kivshar, Yuri last_name: Kivshar citation: ama: Kruk SS, Wang L, Sain B, et al. Asymmetric parametric generation of images with nonlinear dielectric metasurfaces. Nature Photonics. 2022;16:561–565. doi:10.1038/s41566-022-01018-7 apa: Kruk, S. S., Wang, L., Sain, B., Dong, Z., Yang, J., Zentgraf, T., & Kivshar, Y. (2022). Asymmetric parametric generation of images with nonlinear dielectric metasurfaces. Nature Photonics, 16, 561–565. https://doi.org/10.1038/s41566-022-01018-7 bibtex: '@article{Kruk_Wang_Sain_Dong_Yang_Zentgraf_Kivshar_2022, title={Asymmetric parametric generation of images with nonlinear dielectric metasurfaces}, volume={16}, DOI={10.1038/s41566-022-01018-7}, 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} }' 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.” Nature Photonics 16 (2022): 561–565. https://doi.org/10.1038/s41566-022-01018-7.' ieee: 'S. S. Kruk et al., “Asymmetric parametric generation of images with nonlinear dielectric metasurfaces,” Nature Photonics, vol. 16, pp. 561–565, 2022, doi: 10.1038/s41566-022-01018-7.' mla: Kruk, Sergey S., et al. “Asymmetric Parametric Generation of Images with Nonlinear Dielectric Metasurfaces.” Nature Photonics, vol. 16, Springer Science and Business Media LLC, 2022, pp. 561–565, doi:10.1038/s41566-022-01018-7. short: S.S. Kruk, L. Wang, B. Sain, Z. Dong, J. Yang, T. Zentgraf, Y. Kivshar, Nature Photonics 16 (2022) 561–565. date_created: 2022-06-21T05:52:43Z date_updated: 2025-05-21T08:49:00Z department: - _id: '15' - _id: '230' - _id: '289' - _id: '623' doi: 10.1038/s41566-022-01018-7 intvolume: ' 16' keyword: - Atomic and Molecular Physics - and Optics - Electronic - Optical and Magnetic Materials language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2108.04425 oa: '1' page: 561–565 project: - _id: '53' grant_number: '231447078' name: 'TRR 142: TRR 142' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '170' 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*)' publication: Nature Photonics publication_identifier: issn: - 1749-4885 - 1749-4893 publication_status: published publisher: Springer Science and Business Media LLC quality_controlled: '1' status: public title: Asymmetric parametric generation of images with nonlinear dielectric metasurfaces type: journal_article user_id: '30525' volume: 16 year: '2022' ... --- _id: '34094' article_number: '201103' author: - first_name: Ying full_name: Gao, Ying last_name: Gao - first_name: Yao full_name: Li, Yao last_name: Li - first_name: Xuekai full_name: Ma, Xuekai id: '59416' last_name: Ma - first_name: Meini full_name: Gao, Meini last_name: Gao - first_name: Haitao full_name: Dai, Haitao last_name: Dai - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Tingge full_name: Gao, Tingge last_name: Gao citation: ama: Gao Y, Li Y, Ma X, et al. Tilting nondispersive bands in an empty microcavity. Applied Physics Letters. 2022;121(20). doi:10.1063/5.0093908 apa: Gao, Y., Li, Y., Ma, X., Gao, M., Dai, H., Schumacher, S., & Gao, T. (2022). Tilting nondispersive bands in an empty microcavity. Applied Physics Letters, 121(20), Article 201103. https://doi.org/10.1063/5.0093908 bibtex: '@article{Gao_Li_Ma_Gao_Dai_Schumacher_Gao_2022, title={Tilting nondispersive bands in an empty microcavity}, volume={121}, DOI={10.1063/5.0093908}, 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} }' chicago: Gao, Ying, Yao Li, Xuekai Ma, Meini Gao, Haitao Dai, Stefan Schumacher, and Tingge Gao. “Tilting Nondispersive Bands in an Empty Microcavity.” Applied Physics Letters 121, no. 20 (2022). https://doi.org/10.1063/5.0093908. ieee: 'Y. Gao et al., “Tilting nondispersive bands in an empty microcavity,” Applied Physics Letters, vol. 121, no. 20, Art. no. 201103, 2022, doi: 10.1063/5.0093908.' mla: Gao, Ying, et al. “Tilting Nondispersive Bands in an Empty Microcavity.” Applied Physics Letters, vol. 121, no. 20, 201103, AIP Publishing, 2022, doi:10.1063/5.0093908. short: Y. Gao, Y. Li, X. Ma, M. Gao, H. Dai, S. Schumacher, T. Gao, Applied Physics Letters 121 (2022). date_created: 2022-11-16T12:29:11Z date_updated: 2025-12-05T13:50:49Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '705' - _id: '230' - _id: '429' - _id: '35' doi: 10.1063/5.0093908 intvolume: ' 121' issue: '20' keyword: - Physics and Astronomy (miscellaneous) language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '61' name: 'TRR 142 - A4: TRR 142 - Subproject A4' - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Applied Physics Letters publication_identifier: issn: - 0003-6951 - 1077-3118 publication_status: published publisher: AIP Publishing status: public title: Tilting nondispersive bands in an empty microcavity type: journal_article user_id: '16199' volume: 121 year: '2022' ... --- _id: '37713' author: - first_name: Fadis F. full_name: Murzakhanov, Fadis F. last_name: Murzakhanov - first_name: Georgy Vladimirovich full_name: Mamin, Georgy Vladimirovich last_name: Mamin - first_name: Sergei Borisovich full_name: Orlinskii, Sergei Borisovich last_name: Orlinskii - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Igor full_name: Aharonovich, Igor last_name: Aharonovich - first_name: Andreas full_name: Gottscholl, Andreas last_name: Gottscholl - first_name: Andreas full_name: Sperlich, Andreas last_name: Sperlich - first_name: Vladimir full_name: Dyakonov, Vladimir last_name: Dyakonov - first_name: Victor A. full_name: Soltamov, Victor A. last_name: Soltamov citation: ama: Murzakhanov FF, Mamin GV, Orlinskii SB, et al. Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN. Nano Letters. 2022;22(7):2718-2724. doi:10.1021/acs.nanolett.1c04610 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., & Soltamov, V. A. (2022). Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN. Nano Letters, 22(7), 2718–2724. https://doi.org/10.1021/acs.nanolett.1c04610 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 VB– Spin States in hBN}, volume={22}, DOI={10.1021/acs.nanolett.1c04610}, 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} }' 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 VB– Spin States in HBN.” Nano Letters 22, no. 7 (2022): 2718–24. https://doi.org/10.1021/acs.nanolett.1c04610.' ieee: 'F. F. Murzakhanov et al., “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN,” Nano Letters, vol. 22, no. 7, pp. 2718–2724, 2022, doi: 10.1021/acs.nanolett.1c04610.' mla: Murzakhanov, Fadis F., et al. “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in HBN.” Nano Letters, vol. 22, no. 7, American Chemical Society (ACS), 2022, pp. 2718–24, doi:10.1021/acs.nanolett.1c04610. 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. date_created: 2023-01-20T11:21:22Z date_updated: 2025-12-05T13:57:24Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '429' - _id: '35' - _id: '790' doi: 10.1021/acs.nanolett.1c04610 intvolume: ' 22' issue: '7' keyword: - Mechanical Engineering - Condensed Matter Physics - General Materials Science - General Chemistry - Bioengineering language: - iso: eng page: 2718-2724 project: - _id: '53' name: 'TRR 142: TRR 142' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' - _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' publication: Nano Letters publication_identifier: issn: - 1530-6984 - 1530-6992 publication_status: published publisher: American Chemical Society (ACS) status: public title: Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN type: journal_article user_id: '16199' volume: 22 year: '2022' ... --- _id: '33080' article_number: '2203588' author: - first_name: Teng full_name: Long, Teng last_name: Long - first_name: Xuekai full_name: Ma, Xuekai id: '59416' last_name: Ma - first_name: Jiahuan full_name: Ren, Jiahuan last_name: Ren - first_name: Feng full_name: Li, Feng last_name: Li - first_name: Qing full_name: Liao, Qing last_name: Liao - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Guillaume full_name: Malpuech, Guillaume last_name: Malpuech - first_name: Dmitry full_name: Solnyshkov, Dmitry last_name: Solnyshkov - first_name: Hongbing full_name: Fu, Hongbing last_name: Fu citation: ama: Long T, Ma X, Ren J, et al. Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity. Advanced Science. 2022;9(29). doi:10.1002/advs.202203588 apa: Long, T., Ma, X., Ren, J., Li, F., Liao, Q., Schumacher, S., Malpuech, G., Solnyshkov, D., & Fu, H. (2022). Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity. Advanced Science, 9(29), Article 2203588. https://doi.org/10.1002/advs.202203588 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={10.1002/advs.202203588}, 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} }' 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.” Advanced Science 9, no. 29 (2022). https://doi.org/10.1002/advs.202203588. ieee: 'T. Long et al., “Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity,” Advanced Science, vol. 9, no. 29, Art. no. 2203588, 2022, doi: 10.1002/advs.202203588.' mla: Long, Teng, et al. “Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity.” Advanced Science, vol. 9, no. 29, 2203588, Wiley, 2022, doi:10.1002/advs.202203588. short: T. Long, X. Ma, J. Ren, F. Li, Q. Liao, S. Schumacher, G. Malpuech, D. Solnyshkov, H. Fu, Advanced Science 9 (2022). date_created: 2022-08-22T19:05:04Z date_updated: 2025-12-05T13:56:26Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '705' - _id: '230' - _id: '429' - _id: '35' doi: 10.1002/advs.202203588 intvolume: ' 9' issue: '29' 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' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '61' name: 'TRR 142 - A4: TRR 142 - Subproject A4' - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Advanced Science publication_identifier: issn: - 2198-3844 - 2198-3844 publication_status: published publisher: Wiley status: public title: Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity type: journal_article user_id: '16199' volume: 9 year: '2022' ... --- _id: '32310' article_number: '3785' author: - first_name: Yao full_name: Li, Yao last_name: Li - first_name: Xuekai full_name: Ma, Xuekai id: '59416' last_name: Ma - first_name: Xiaokun full_name: Zhai, Xiaokun last_name: Zhai - first_name: Meini full_name: Gao, Meini last_name: Gao - first_name: Haitao full_name: Dai, Haitao last_name: Dai - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Tingge full_name: Gao, Tingge last_name: Gao citation: ama: Li Y, Ma X, Zhai X, et al. Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature. Nature Communications. 2022;13(1). doi:10.1038/s41467-022-31529-4 apa: Li, Y., Ma, X., Zhai, X., Gao, M., Dai, H., Schumacher, S., & Gao, T. (2022). Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature. Nature Communications, 13(1), Article 3785. https://doi.org/10.1038/s41467-022-31529-4 bibtex: '@article{Li_Ma_Zhai_Gao_Dai_Schumacher_Gao_2022, title={Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature}, volume={13}, DOI={10.1038/s41467-022-31529-4}, 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} }' 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.” Nature Communications 13, no. 1 (2022). https://doi.org/10.1038/s41467-022-31529-4. ieee: 'Y. Li et al., “Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature,” Nature Communications, vol. 13, no. 1, Art. no. 3785, 2022, doi: 10.1038/s41467-022-31529-4.' mla: Li, Yao, et al. “Manipulating Polariton Condensates by Rashba-Dresselhaus Coupling at Room Temperature.” Nature Communications, vol. 13, no. 1, 3785, Springer Science and Business Media LLC, 2022, doi:10.1038/s41467-022-31529-4. short: Y. Li, X. Ma, X. Zhai, M. Gao, H. Dai, S. Schumacher, T. Gao, Nature Communications 13 (2022). date_created: 2022-07-01T09:12:53Z date_updated: 2025-12-05T13:54:19Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '705' - _id: '230' - _id: '429' - _id: '623' - _id: '35' doi: 10.1038/s41467-022-31529-4 intvolume: ' 13' issue: '1' keyword: - General Physics and Astronomy - General Biochemistry - Genetics and Molecular Biology - General Chemistry - Multidisciplinary language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '61' name: 'TRR 142 - A4: TRR 142 - Subproject A4' - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Nature Communications publication_identifier: issn: - 2041-1723 publication_status: published publisher: Springer Science and Business Media LLC status: public title: Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature type: journal_article user_id: '16199' volume: 13 year: '2022' ... --- _id: '32148' author: - first_name: Xinghui full_name: Gao, Xinghui last_name: Gao - first_name: Wei full_name: Hu, Wei last_name: Hu - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Xuekai full_name: Ma, Xuekai id: '59416' last_name: Ma citation: ama: Gao X, Hu W, Schumacher S, Ma X. Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates. Optics Letters. 2022;47(13):3235-3238. doi:10.1364/ol.457724 apa: Gao, X., Hu, W., Schumacher, S., & Ma, X. (2022). Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates. Optics Letters, 47(13), 3235–3238. https://doi.org/10.1364/ol.457724 bibtex: '@article{Gao_Hu_Schumacher_Ma_2022, title={Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates}, volume={47}, DOI={10.1364/ol.457724}, 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} }' chicago: 'Gao, Xinghui, Wei Hu, Stefan Schumacher, and Xuekai Ma. “Unidirectional Vortex Waveguides and Multistable Vortex Pairs in Polariton Condensates.” Optics Letters 47, no. 13 (2022): 3235–38. https://doi.org/10.1364/ol.457724.' ieee: 'X. Gao, W. Hu, S. Schumacher, and X. Ma, “Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates,” Optics Letters, vol. 47, no. 13, pp. 3235–3238, 2022, doi: 10.1364/ol.457724.' mla: Gao, Xinghui, et al. “Unidirectional Vortex Waveguides and Multistable Vortex Pairs in Polariton Condensates.” Optics Letters, vol. 47, no. 13, Optica Publishing Group, 2022, pp. 3235–38, doi:10.1364/ol.457724. short: X. Gao, W. Hu, S. Schumacher, X. Ma, Optics Letters 47 (2022) 3235–3238. date_created: 2022-06-24T07:38:11Z date_updated: 2025-12-05T13:55:22Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '705' - _id: '230' - _id: '429' - _id: '35' doi: 10.1364/ol.457724 intvolume: ' 47' issue: '13' keyword: - Atomic and Molecular Physics - and Optics language: - iso: eng page: 3235-3238 project: - _id: '53' name: 'TRR 142: TRR 142' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '61' name: 'TRR 142 - A4: TRR 142 - Subproject A4' - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Optics Letters publication_identifier: issn: - 0146-9592 - 1539-4794 publication_status: published publisher: Optica Publishing Group status: public title: Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates type: journal_article user_id: '16199' volume: 47 year: '2022' ... --- _id: '40371' abstract: - lang: eng text: 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. article_number: '552' author: - first_name: Alessandro full_name: Ferreri, Alessandro last_name: Ferreri - first_name: Polina R. full_name: Sharapova, Polina R. id: '60286' last_name: Sharapova citation: ama: Ferreri A, Sharapova PR. Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. Symmetry. 2022;14(3). doi:10.3390/sym14030552 apa: Ferreri, A., & Sharapova, P. R. (2022). Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. Symmetry, 14(3), Article 552. https://doi.org/10.3390/sym14030552 bibtex: '@article{Ferreri_Sharapova_2022, title={Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer}, volume={14}, DOI={10.3390/sym14030552}, 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.” Symmetry 14, no. 3 (2022). https://doi.org/10.3390/sym14030552. ieee: 'A. Ferreri and P. R. Sharapova, “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer,” Symmetry, vol. 14, no. 3, Art. no. 552, 2022, doi: 10.3390/sym14030552.' mla: Ferreri, Alessandro, and Polina R. Sharapova. “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer.” Symmetry, vol. 14, no. 3, 552, MDPI AG, 2022, doi:10.3390/sym14030552. short: A. Ferreri, P.R. Sharapova, Symmetry 14 (2022). date_created: 2023-01-26T13:54:00Z date_updated: 2025-12-16T11:27:11Z department: - _id: '15' - _id: '569' - _id: '170' - _id: '429' - _id: '230' - _id: '9' - _id: '27' doi: 10.3390/sym14030552 intvolume: ' 14' issue: '3' keyword: - Physics and Astronomy (miscellaneous) - General Mathematics - Chemistry (miscellaneous) - Computer Science (miscellaneous) language: - iso: eng 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' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Symmetry publication_identifier: issn: - 2073-8994 publication_status: published publisher: MDPI AG status: public title: Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer type: journal_article user_id: '16199' volume: 14 year: '2022' ... --- _id: '53082' article_number: '111961' article_type: original author: - first_name: Julia full_name: Zinsmeister, Julia last_name: Zinsmeister - first_name: Nina full_name: Gaiser, Nina last_name: Gaiser - first_name: Jens full_name: Melder, Jens last_name: Melder - first_name: Thomas full_name: Bierkandt, Thomas last_name: Bierkandt - first_name: Patrick full_name: Hemberger, Patrick last_name: Hemberger - first_name: Tina full_name: Kasper, Tina id: '94562' last_name: Kasper orcid: '0000-0003-3993-5316 ' - first_name: Manfred full_name: Aigner, Manfred last_name: Aigner - first_name: Markus full_name: Köhler, Markus last_name: Köhler - first_name: Patrick full_name: Oßwald, Patrick last_name: Oßwald 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. Combustion and Flame. 2022;243. doi:10.1016/j.combustflame.2021.111961' apa: 'Zinsmeister, J., Gaiser, N., Melder, J., Bierkandt, T., Hemberger, P., Kasper, T., Aigner, M., Köhler, M., & Oßwald, P. (2022). On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study. Combustion and Flame, 243, Article 111961. https://doi.org/10.1016/j.combustflame.2021.111961' 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={10.1016/j.combustflame.2021.111961}, 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} }' 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.” Combustion and Flame 243 (2022). https://doi.org/10.1016/j.combustflame.2021.111961.' ieee: 'J. Zinsmeister et al., “On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study,” Combustion and Flame, vol. 243, Art. no. 111961, 2022, doi: 10.1016/j.combustflame.2021.111961.' mla: 'Zinsmeister, Julia, et al. “On the Diversity of Fossil and Alternative Gasoline Combustion Chemistry: A Comparative Flow Reactor Study.” Combustion and Flame, vol. 243, 111961, Elsevier BV, 2022, doi:10.1016/j.combustflame.2021.111961.' short: J. Zinsmeister, N. Gaiser, J. Melder, T. Bierkandt, P. Hemberger, T. Kasper, M. Aigner, M. Köhler, P. Oßwald, Combustion and Flame 243 (2022). date_created: 2024-03-27T17:40:32Z date_updated: 2025-07-08T10:34:57Z department: - _id: '728' doi: 10.1016/j.combustflame.2021.111961 intvolume: ' 243' keyword: - General Physics and Astronomy - Energy Engineering and Power Technology - Fuel Technology - General Chemical Engineering - General Chemistry language: - iso: eng publication: Combustion and Flame publication_identifier: issn: - 0010-2180 publication_status: published publisher: Elsevier BV quality_controlled: '1' status: public title: 'On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study' type: journal_article user_id: '94562' volume: 243 year: '2022' ... --- _id: '36332' abstract: - lang: eng text: AlSi casting alloys combine excellent castability with high strength. Hence, this group of alloys is often used in the automotive sector. The challenge for this application is the brittle character of these alloys which leads to cracks during joint formation when mechanical joining technologies are used. A rise in ductility can be achieved by a considerable increase in the solidification rate which results in grain refinement. High solidification rates can be realized in twin–roll casting (TRC) by water-cooled rolls. Therefore, a hypoeutectic EN AC–AlSi9 (for European Norm - aluminum cast product) is manufactured by the TRC process and analyzed. Subsequently, joining investigations are performed on castings in as-cast and heat-treated condition using the self-piercing riveting process considering the joint formation and the load-bearing capacity. Due to the fine microstructure, the crack initiation can be avoided during joining, while maintaining the joining parameters, especially by specimens in heat treatment conditions. Furthermore, due to the extremely fine microstructure, the load-bearing capacity of the joint can be significantly increased in terms of the maximum load-bearing force and the energy absorbed. article_number: '2200874' article_type: original author: - first_name: Moritz full_name: Neuser, Moritz id: '32340' last_name: Neuser - first_name: Fabian full_name: Kappe, Fabian id: '66459' last_name: Kappe - first_name: Jakob full_name: Ostermeier, Jakob last_name: Ostermeier - first_name: Jan Tobias full_name: Krüger, Jan Tobias id: '44307' last_name: Krüger orcid: 0000-0002-0827-9654 - first_name: Mathias full_name: Bobbert, Mathias id: '7850' last_name: Bobbert - first_name: Gerson full_name: Meschut, Gerson id: '32056' last_name: Meschut orcid: 0000-0002-2763-1246 - first_name: Mirko full_name: Schaper, Mirko id: '43720' last_name: Schaper - first_name: Olexandr full_name: Grydin, Olexandr id: '43822' last_name: Grydin citation: ama: Neuser M, Kappe F, Ostermeier J, et al. Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting. Advanced Engineering Materials. 2022;24(10). doi:10.1002/adem.202200874 apa: Neuser, M., Kappe, F., Ostermeier, J., Krüger, J. T., Bobbert, M., Meschut, G., Schaper, M., & Grydin, O. (2022). Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting. Advanced Engineering Materials, 24(10), Article 2200874. https://doi.org/10.1002/adem.202200874 bibtex: '@article{Neuser_Kappe_Ostermeier_Krüger_Bobbert_Meschut_Schaper_Grydin_2022, title={Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting}, volume={24}, DOI={10.1002/adem.202200874}, number={102200874}, journal={Advanced Engineering Materials}, publisher={Wiley}, author={Neuser, Moritz and Kappe, Fabian and Ostermeier, Jakob and Krüger, Jan Tobias and Bobbert, Mathias and Meschut, Gerson and Schaper, Mirko and Grydin, Olexandr}, year={2022} }' chicago: Neuser, Moritz, Fabian Kappe, Jakob Ostermeier, Jan Tobias Krüger, Mathias Bobbert, Gerson Meschut, Mirko Schaper, and Olexandr Grydin. “Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting.” Advanced Engineering Materials 24, no. 10 (2022). https://doi.org/10.1002/adem.202200874. ieee: 'M. Neuser et al., “Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting,” Advanced Engineering Materials, vol. 24, no. 10, Art. no. 2200874, 2022, doi: 10.1002/adem.202200874.' mla: Neuser, Moritz, et al. “Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting.” Advanced Engineering Materials, vol. 24, no. 10, 2200874, Wiley, 2022, doi:10.1002/adem.202200874. short: M. Neuser, F. Kappe, J. Ostermeier, J.T. Krüger, M. Bobbert, G. Meschut, M. Schaper, O. Grydin, Advanced Engineering Materials 24 (2022). date_created: 2023-01-12T09:33:55Z date_updated: 2026-05-12T12:15:46Z department: - _id: '158' - _id: '157' - _id: '321' doi: 10.1002/adem.202200874 intvolume: ' 24' issue: '10' keyword: - Condensed Matter Physics - General Materials Science language: - iso: eng main_file_link: - open_access: '1' url: https://onlinelibrary.wiley.com/doi/full/10.1002/adem.202200874 oa: '1' project: - _id: '136' name: 'TRR 285 – A02: TRR 285 - Subproject A02' - _id: '131' name: 'TRR 285 - A: TRR 285 - Project Area A' - _id: '133' name: 'TRR 285 - C: TRR 285 - Project Area C' - _id: '146' name: 'TRR 285 – C02: TRR 285 - Subproject C02' - _id: '130' name: 'TRR 285: Methodenentwicklung zur mechanischen Fügbarkeit in wandlungsfähigen Prozessketten' publication: Advanced Engineering Materials publication_identifier: issn: - 1438-1656 - 1527-2648 publication_status: published publisher: Wiley quality_controlled: '1' status: public title: Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting type: journal_article user_id: '7850' volume: 24 year: '2022' ... --- _id: '29168' abstract: - lang: eng text: AbstractThe 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. article_number: '10' author: - first_name: Tobias full_name: Neumann, Tobias last_name: Neumann - first_name: Elmar full_name: Baumhögger, Elmar id: '15164' last_name: Baumhögger - first_name: Roland full_name: Span, Roland last_name: Span - first_name: Jadran full_name: Vrabec, Jadran last_name: Vrabec - first_name: Monika full_name: Thol, Monika last_name: Thol citation: ama: Neumann T, Baumhögger E, Span R, Vrabec J, Thol M. Thermodynamic Properties of Methyl Diethanolamine. International Journal of Thermophysics. 2021;43(1). doi:10.1007/s10765-021-02933-7 apa: Neumann, T., Baumhögger, E., Span, R., Vrabec, J., & Thol, M. (2021). Thermodynamic Properties of Methyl Diethanolamine. International Journal of Thermophysics, 43(1), Article 10. https://doi.org/10.1007/s10765-021-02933-7 bibtex: '@article{Neumann_Baumhögger_Span_Vrabec_Thol_2021, title={Thermodynamic Properties of Methyl Diethanolamine}, volume={43}, DOI={10.1007/s10765-021-02933-7}, 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} }' chicago: Neumann, Tobias, Elmar Baumhögger, Roland Span, Jadran Vrabec, and Monika Thol. “Thermodynamic Properties of Methyl Diethanolamine.” International Journal of Thermophysics 43, no. 1 (2021). https://doi.org/10.1007/s10765-021-02933-7. ieee: 'T. Neumann, E. Baumhögger, R. Span, J. Vrabec, and M. Thol, “Thermodynamic Properties of Methyl Diethanolamine,” International Journal of Thermophysics, vol. 43, no. 1, Art. no. 10, 2021, doi: 10.1007/s10765-021-02933-7.' mla: Neumann, Tobias, et al. “Thermodynamic Properties of Methyl Diethanolamine.” International Journal of Thermophysics, vol. 43, no. 1, 10, Springer Science and Business Media LLC, 2021, doi:10.1007/s10765-021-02933-7. short: T. Neumann, E. Baumhögger, R. Span, J. Vrabec, M. Thol, International Journal of Thermophysics 43 (2021). date_created: 2022-01-06T09:44:07Z date_updated: 2022-01-06T09:45:32Z department: - _id: '155' doi: 10.1007/s10765-021-02933-7 intvolume: ' 43' issue: '1' keyword: - Condensed Matter Physics language: - iso: eng publication: International Journal of Thermophysics publication_identifier: issn: - 0195-928X - 1572-9567 publication_status: published publisher: Springer Science and Business Media LLC status: public title: Thermodynamic Properties of Methyl Diethanolamine type: journal_article user_id: '15164' volume: 43 year: '2021' ... --- _id: '30208' abstract: - lang: eng text:

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.

author: - first_name: Hoang Tam full_name: Do, Hoang Tam last_name: Do - first_name: Patrick full_name: Franke, Patrick id: '93922' last_name: Franke - first_name: Sophia full_name: Volpert, Sophia last_name: Volpert - first_name: Marcel full_name: Klinksiek, Marcel last_name: Klinksiek - first_name: Max full_name: Thome, Max last_name: Thome - first_name: Christoph full_name: Held, Christoph last_name: Held citation: 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. Physical Chemistry Chemical Physics. 2021;23(18):10852-10863. doi:10.1039/d1cp00005e apa: Do, H. T., Franke, P., Volpert, S., Klinksiek, M., Thome, M., & Held, C. (2021). Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions. Physical Chemistry Chemical Physics, 23(18), 10852–10863. https://doi.org/10.1039/d1cp00005e 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={10.1039/d1cp00005e}, 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} }' 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.” Physical Chemistry Chemical Physics 23, no. 18 (2021): 10852–63. https://doi.org/10.1039/d1cp00005e.' 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,” Physical Chemistry Chemical Physics, vol. 23, no. 18, pp. 10852–10863, 2021, doi: 10.1039/d1cp00005e.' mla: Do, Hoang Tam, et al. “Measurement and Modelling Solubility of Amino Acids and Peptides in Aqueous 2-Propanol Solutions.” Physical Chemistry Chemical Physics, vol. 23, no. 18, Royal Society of Chemistry (RSC), 2021, pp. 10852–63, doi:10.1039/d1cp00005e. short: H.T. Do, P. Franke, S. Volpert, M. Klinksiek, M. Thome, C. Held, Physical Chemistry Chemical Physics 23 (2021) 10852–10863. date_created: 2022-03-05T11:22:22Z date_updated: 2022-03-26T08:03:40Z doi: 10.1039/d1cp00005e extern: '1' intvolume: ' 23' issue: '18' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng page: 10852-10863 publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions type: journal_article user_id: '93922' volume: 23 year: '2021' ... --- _id: '32243' abstract: - lang: eng text: "Abstract\r\n 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." article_number: '033216' author: - first_name: Lennart full_name: Dabelow, Lennart last_name: Dabelow - first_name: Stefano full_name: Bo, Stefano last_name: Bo - first_name: Ralf full_name: Eichhorn, Ralf last_name: Eichhorn citation: ama: 'Dabelow L, Bo S, Eichhorn R. How irreversible are steady-state trajectories of a trapped active particle? Journal of Statistical Mechanics: Theory and Experiment. 2021;2021(3). doi:10.1088/1742-5468/abe6fd' apa: 'Dabelow, L., Bo, S., & Eichhorn, R. (2021). How irreversible are steady-state trajectories of a trapped active particle? Journal of Statistical Mechanics: Theory and Experiment, 2021(3), Article 033216. https://doi.org/10.1088/1742-5468/abe6fd' bibtex: '@article{Dabelow_Bo_Eichhorn_2021, title={How irreversible are steady-state trajectories of a trapped active particle?}, volume={2021}, DOI={10.1088/1742-5468/abe6fd}, number={3033216}, journal={Journal of Statistical Mechanics: Theory and Experiment}, publisher={IOP Publishing}, author={Dabelow, Lennart and Bo, Stefano and Eichhorn, Ralf}, year={2021} }' chicago: 'Dabelow, Lennart, Stefano Bo, and Ralf Eichhorn. “How Irreversible Are Steady-State Trajectories of a Trapped Active Particle?” Journal of Statistical Mechanics: Theory and Experiment 2021, no. 3 (2021). https://doi.org/10.1088/1742-5468/abe6fd.' ieee: 'L. Dabelow, S. Bo, and R. Eichhorn, “How irreversible are steady-state trajectories of a trapped active particle?,” Journal of Statistical Mechanics: Theory and Experiment, vol. 2021, no. 3, Art. no. 033216, 2021, doi: 10.1088/1742-5468/abe6fd.' mla: 'Dabelow, Lennart, et al. “How Irreversible Are Steady-State Trajectories of a Trapped Active Particle?” Journal of Statistical Mechanics: Theory and Experiment, vol. 2021, no. 3, 033216, IOP Publishing, 2021, doi:10.1088/1742-5468/abe6fd.' short: 'L. Dabelow, S. Bo, R. Eichhorn, Journal of Statistical Mechanics: Theory and Experiment 2021 (2021).' date_created: 2022-06-28T07:27:41Z date_updated: 2022-06-28T07:28:14Z department: - _id: '27' doi: 10.1088/1742-5468/abe6fd intvolume: ' 2021' issue: '3' keyword: - Statistics - Probability and Uncertainty - Statistics and Probability - Statistical and Nonlinear Physics language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: 'Journal of Statistical Mechanics: Theory and Experiment' publication_identifier: issn: - 1742-5468 publication_status: published publisher: IOP Publishing status: public title: How irreversible are steady-state trajectories of a trapped active particle? type: journal_article user_id: '15278' volume: 2021 year: '2021' ... --- _id: '34647' article_number: '035204' author: - first_name: T full_name: Brögelmann, T last_name: Brögelmann - first_name: K full_name: Bobzin, K last_name: Bobzin - 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 - first_name: N C full_name: Kruppe, N C last_name: Kruppe - first_name: S full_name: Schwiderek, S last_name: Schwiderek - first_name: M full_name: Carlet, M last_name: Carlet citation: ama: 'Brögelmann T, Bobzin K, Grundmeier G, et al. Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions. Journal of Physics D: Applied Physics. 2021;55(3). doi:10.1088/1361-6463/ac2e31' apa: 'Brögelmann, T., Bobzin, K., Grundmeier, G., de los Arcos, T., Kruppe, N. C., Schwiderek, S., & Carlet, M. (2021). Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions. Journal of Physics D: Applied Physics, 55(3), Article 035204. https://doi.org/10.1088/1361-6463/ac2e31' 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={10.1088/1361-6463/ac2e31}, 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} }' 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.” Journal of Physics D: Applied Physics 55, no. 3 (2021). https://doi.org/10.1088/1361-6463/ac2e31.' ieee: 'T. Brögelmann et al., “Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions,” Journal of Physics D: Applied Physics, vol. 55, no. 3, Art. no. 035204, 2021, doi: 10.1088/1361-6463/ac2e31.' mla: 'Brögelmann, T., et al. “Durability of Nanolayer Ti–Al–O–N Hard Coatings under Simulated Polycarbonate Melt Processing Conditions.” Journal of Physics D: Applied Physics, vol. 55, no. 3, 035204, IOP Publishing, 2021, doi:10.1088/1361-6463/ac2e31.' 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).' date_created: 2022-12-21T09:32:09Z date_updated: 2022-12-21T09:32:39Z department: - _id: '302' doi: 10.1088/1361-6463/ac2e31 intvolume: ' 55' issue: '3' keyword: - Surfaces - Coatings and Films - Acoustics and Ultrasonics - Condensed Matter Physics - Electronic - Optical and Magnetic Materials language: - iso: eng publication: 'Journal of Physics D: Applied Physics' publication_identifier: issn: - 0022-3727 - 1361-6463 publication_status: published publisher: IOP Publishing status: public title: Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions type: journal_article user_id: '48864' volume: 55 year: '2021' ... --- _id: '34645' article_number: '2100446' author: - first_name: Tripurari Sharan full_name: Tripathi, Tripurari Sharan last_name: Tripathi - first_name: Martin full_name: Wilken, Martin last_name: Wilken - first_name: Christian full_name: Hoppe, Christian id: '27401' last_name: Hoppe - first_name: Teresa full_name: de los Arcos, Teresa last_name: de los Arcos - first_name: Guido full_name: Grundmeier, Guido id: '194' last_name: Grundmeier - first_name: Anjana full_name: Devi, Anjana last_name: Devi - first_name: Maarit full_name: Karppinen, Maarit last_name: Karppinen citation: ama: Tripathi TS, Wilken M, Hoppe C, et al. Atomic Layer Deposition of Copper Metal Films from Cu(acac)            2            and Hydroquinone Reductant. Advanced Engineering Materials. 2021;23(10). doi:10.1002/adem.202100446 apa: Tripathi, T. S., Wilken, M., Hoppe, C., de los Arcos, T., Grundmeier, G., Devi, A., & Karppinen, M. (2021). Atomic Layer Deposition of Copper Metal Films from Cu(acac)            2            and Hydroquinone Reductant. Advanced Engineering Materials, 23(10), Article 2100446. https://doi.org/10.1002/adem.202100446 bibtex: '@article{Tripathi_Wilken_Hoppe_de los Arcos_Grundmeier_Devi_Karppinen_2021, title={Atomic Layer Deposition of Copper Metal Films from Cu(acac)            2            and Hydroquinone Reductant}, volume={23}, DOI={10.1002/adem.202100446}, 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} }' 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)            2            and Hydroquinone Reductant.” Advanced Engineering Materials 23, no. 10 (2021). https://doi.org/10.1002/adem.202100446. ieee: 'T. S. Tripathi et al., “Atomic Layer Deposition of Copper Metal Films from Cu(acac)            2            and Hydroquinone Reductant,” Advanced Engineering Materials, vol. 23, no. 10, Art. no. 2100446, 2021, doi: 10.1002/adem.202100446.' mla: Tripathi, Tripurari Sharan, et al. “Atomic Layer Deposition of Copper Metal Films from Cu(Acac)            2            and Hydroquinone Reductant.” Advanced Engineering Materials, vol. 23, no. 10, 2100446, Wiley, 2021, doi:10.1002/adem.202100446. short: T.S. Tripathi, M. Wilken, C. Hoppe, T. de los Arcos, G. Grundmeier, A. Devi, M. Karppinen, Advanced Engineering Materials 23 (2021). date_created: 2022-12-21T09:30:44Z date_updated: 2022-12-21T09:31:52Z department: - _id: '302' doi: 10.1002/adem.202100446 intvolume: ' 23' issue: '10' keyword: - Condensed Matter Physics - General Materials Science language: - iso: eng publication: Advanced Engineering Materials publication_identifier: issn: - 1438-1656 - 1527-2648 publication_status: published publisher: Wiley status: public title: Atomic Layer Deposition of Copper Metal Films from Cu(acac) 2 and Hydroquinone Reductant type: journal_article user_id: '48864' volume: 23 year: '2021' ... --- _id: '33587' abstract: - lang: eng text: "Abstract\r\n 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." article_number: '015001' author: - first_name: Ahmad full_name: Ranjbar, Ahmad last_name: Ranjbar - first_name: Hossein full_name: Mirhosseini, Hossein last_name: Mirhosseini - first_name: Thomas D full_name: Kühne, Thomas D last_name: Kühne citation: ama: 'Ranjbar A, Mirhosseini H, Kühne TD. On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials. 2021;5(1). doi:10.1088/2515-7639/ac363d' apa: 'Ranjbar, A., Mirhosseini, H., & Kühne, T. D. (2021). On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d' bibtex: '@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={10.1088/2515-7639/ac363d}, 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.” Journal of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.' ieee: 'A. Ranjbar, H. Mirhosseini, and T. D. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.' mla: 'Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.' short: 'A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5 (2021).' date_created: 2022-10-09T15:25:09Z date_updated: 2022-10-09T15:25:19Z department: - _id: '613' doi: 10.1088/2515-7639/ac363d intvolume: ' 5' issue: '1' keyword: - Condensed Matter Physics - General Materials Science - Atomic and Molecular Physics - and Optics language: - iso: eng publication: 'Journal of Physics: Materials' publication_identifier: issn: - 2515-7639 publication_status: published publisher: IOP Publishing status: public title: On topological materials as photocatalysts for water splitting by visible light type: journal_article user_id: '71051' volume: 5 year: '2021' ... --- _id: '33648' article_number: '074107' author: - first_name: Alireza full_name: Ghasemi, Alireza id: '77282' last_name: Ghasemi - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne citation: ama: Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics. 2021;154(7). doi:10.1063/5.0037319 apa: Ghasemi, A., & Kühne, T. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics, 154(7), Article 074107. https://doi.org/10.1063/5.0037319 bibtex: '@article{Ghasemi_Kühne_2021, title={Artificial neural networks for the kinetic energy functional of non-interacting fermions}, volume={154}, DOI={10.1063/5.0037319}, number={7074107}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ghasemi, Alireza and Kühne, Thomas}, year={2021} }' chicago: Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” The Journal of Chemical Physics 154, no. 7 (2021). https://doi.org/10.1063/5.0037319. ieee: 'A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,” The Journal of Chemical Physics, vol. 154, no. 7, Art. no. 074107, 2021, doi: 10.1063/5.0037319.' mla: Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” The Journal of Chemical Physics, vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:10.1063/5.0037319. short: A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021). date_created: 2022-10-10T08:14:44Z date_updated: 2022-10-10T08:14:57Z department: - _id: '613' doi: 10.1063/5.0037319 intvolume: ' 154' issue: '7' keyword: - Physical and Theoretical Chemistry - General Physics and Astronomy language: - iso: eng publication: The Journal of Chemical Physics publication_identifier: issn: - 0021-9606 - 1089-7690 publication_status: published publisher: AIP Publishing status: public title: Artificial neural networks for the kinetic energy functional of non-interacting fermions type: journal_article user_id: '71051' volume: 154 year: '2021' ... --- _id: '33657' article_number: '110567' author: - first_name: Hossein full_name: Mirhosseini, Hossein id: '71051' last_name: Mirhosseini orcid: 0000-0001-6179-1545 - first_name: Hossein full_name: Tahmasbi, Hossein last_name: Tahmasbi - first_name: Sai Ram full_name: Kuchana, Sai Ram last_name: Kuchana - first_name: Alireza full_name: Ghasemi, Alireza id: '77282' last_name: Ghasemi - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne citation: ama: Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach for developing neural network interatomic potentials with FLAME. Computational Materials Science. 2021;197. doi:10.1016/j.commatsci.2021.110567 apa: Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., & Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. Computational Materials Science, 197, Article 110567. https://doi.org/10.1016/j.commatsci.2021.110567 bibtex: '@article{Mirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title={An automated approach for developing neural network interatomic potentials with FLAME}, volume={197}, DOI={10.1016/j.commatsci.2021.110567}, 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} }' chicago: Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” Computational Materials Science 197 (2021). https://doi.org/10.1016/j.commatsci.2021.110567. ieee: 'H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An automated approach for developing neural network interatomic potentials with FLAME,” Computational Materials Science, vol. 197, Art. no. 110567, 2021, doi: 10.1016/j.commatsci.2021.110567.' mla: Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” Computational Materials Science, vol. 197, 110567, Elsevier BV, 2021, doi:10.1016/j.commatsci.2021.110567. short: H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021). date_created: 2022-10-10T08:23:50Z date_updated: 2022-10-10T08:24:13Z department: - _id: '613' doi: 10.1016/j.commatsci.2021.110567 intvolume: ' 197' keyword: - Computational Mathematics - General Physics and Astronomy - Mechanics of Materials - General Materials Science - General Chemistry - General Computer Science language: - iso: eng publication: Computational Materials Science publication_identifier: issn: - 0927-0256 publication_status: published publisher: Elsevier BV status: public title: An automated approach for developing neural network interatomic potentials with FLAME type: journal_article user_id: '71051' volume: 197 year: '2021' ... --- _id: '33659' abstract: - lang: eng text: "Abstract\r\n 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." article_number: '015001' author: - first_name: Ahmad full_name: Ranjbar, Ahmad last_name: Ranjbar - first_name: Hossein full_name: Mirhosseini, Hossein id: '71051' last_name: Mirhosseini orcid: 0000-0001-6179-1545 - first_name: Thomas full_name: Kühne, Thomas id: '49079' last_name: Kühne citation: ama: 'Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials. 2021;5(1). doi:10.1088/2515-7639/ac363d' apa: 'Ranjbar, A., Mirhosseini, H., & Kühne, T. (2021). On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d' bibtex: '@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={10.1088/2515-7639/ac363d}, number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }' chicago: 'Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” Journal of Physics: Materials 5, no. 1 (2021). https://doi.org/10.1088/2515-7639/ac363d.' ieee: 'A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.' mla: 'Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” Journal of Physics: Materials, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:10.1088/2515-7639/ac363d.' short: 'A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).' date_created: 2022-10-10T08:25:19Z date_updated: 2022-10-10T08:25:30Z department: - _id: '613' doi: 10.1088/2515-7639/ac363d intvolume: ' 5' issue: '1' keyword: - Condensed Matter Physics - General Materials Science - Atomic and Molecular Physics - and Optics language: - iso: eng publication: 'Journal of Physics: Materials' publication_identifier: issn: - 2515-7639 publication_status: published publisher: IOP Publishing status: public title: On topological materials as photocatalysts for water splitting by visible light type: journal_article user_id: '71051' volume: 5 year: '2021' ...