--- _id: '60001' article_type: original author: - first_name: Christian full_name: Zietlow, Christian id: '77368' last_name: Zietlow orcid: https://orcid.org/0000-0001-9696-619X - first_name: Jörg full_name: Lindner, Jörg id: '20797' last_name: Lindner citation: ama: Zietlow C, Lindner J. An unbiased ADMM-TGV algorithm for the deconvolution of STEM-EELS maps. Ultramicroscopy. 2025;(275). doi:10.1016/j.ultramic.2025.114159 apa: Zietlow, C., & Lindner, J. (2025). An unbiased ADMM-TGV algorithm for the deconvolution of STEM-EELS maps. Ultramicroscopy, 275. https://doi.org/10.1016/j.ultramic.2025.114159 bibtex: '@article{Zietlow_Lindner_2025, title={An unbiased ADMM-TGV algorithm for the deconvolution of STEM-EELS maps}, DOI={10.1016/j.ultramic.2025.114159}, number={275}, journal={Ultramicroscopy}, publisher={Elsevier}, author={Zietlow, Christian and Lindner, Jörg}, year={2025} }' chicago: Zietlow, Christian, and Jörg Lindner. “An Unbiased ADMM-TGV Algorithm for the Deconvolution of STEM-EELS Maps.” Ultramicroscopy, no. 275 (2025). https://doi.org/10.1016/j.ultramic.2025.114159. ieee: 'C. Zietlow and J. Lindner, “An unbiased ADMM-TGV algorithm for the deconvolution of STEM-EELS maps,” Ultramicroscopy, no. 275, 2025, doi: 10.1016/j.ultramic.2025.114159.' mla: Zietlow, Christian, and Jörg Lindner. “An Unbiased ADMM-TGV Algorithm for the Deconvolution of STEM-EELS Maps.” Ultramicroscopy, no. 275, Elsevier, 2025, doi:10.1016/j.ultramic.2025.114159. short: C. Zietlow, J. Lindner, Ultramicroscopy (2025). date_created: 2025-05-20T11:33:24Z date_updated: 2026-02-04T07:50:40Z department: - _id: '286' - _id: '15' doi: 10.1016/j.ultramic.2025.114159 external_id: pmid: - '40398071' issue: '275' language: - iso: eng main_file_link: - open_access: '1' oa: '1' pmid: '1' publication: Ultramicroscopy publication_status: published publisher: Elsevier quality_controlled: '1' status: public title: An unbiased ADMM-TGV algorithm for the deconvolution of STEM-EELS maps type: journal_article user_id: '77368' year: '2025' ... --- _id: '63856' abstract: - lang: eng text: Electron energy-loss spectroscopy (EELS) is an advanced analytical technique in transmission electron microscopy, as it provides insights into material characteristics, such as electronic properties or elemental composition, at the atomic scale. The precision of every EELS analysis, however, is inherently limited by noises and blur. This thesis offers a comprehensive understanding of the noise, which is particularly valuable at low dwell times necessary for beam sensitive materials and for electron-matter interactions with low frequency of occurrence, where the noise dominates the measurement. Additionally, correlations encountered in the noise of an EELS measurement are described from both a theoretical and experimental perspective. These correlations are caused by a convolution of the noisy signal with the detector point spread function. Methods for characterizing key noise parameters of typical detectors are described, allowing the noise model to be tailored to any EELS detector. Ultimately, a novel deconvolution method enabling significant sharpening and denoising of EELS measurements is introduced and demonstrated. Its efficiency is further validated on both simulation and experimental data. The described advancement offered by the proposed deconvolution method enables the extension of current electron microscope capabilities, facilitating analysis that would be unfeasible with existing deconvolution techniques. author: - first_name: Christian full_name: Zietlow, Christian id: '77368' last_name: Zietlow orcid: https://orcid.org/0000-0001-9696-619X citation: ama: Zietlow C. A Novel Lagrangian-Based Method for the Deconvolution of Electron Energy-Loss Spectra. Universitätsbibliothek Paderborn; 2025. doi:10.17619/UNIPB/1-2438 apa: Zietlow, C. (2025). A novel Lagrangian-based method for the deconvolution of electron energy-loss spectra. Universitätsbibliothek Paderborn. https://doi.org/10.17619/UNIPB/1-2438 bibtex: '@book{Zietlow_2025, title={A novel Lagrangian-based method for the deconvolution of electron energy-loss spectra}, DOI={10.17619/UNIPB/1-2438}, publisher={Universitätsbibliothek Paderborn}, author={Zietlow, Christian}, year={2025} }' chicago: Zietlow, Christian. A Novel Lagrangian-Based Method for the Deconvolution of Electron Energy-Loss Spectra. Universitätsbibliothek Paderborn, 2025. https://doi.org/10.17619/UNIPB/1-2438. ieee: C. Zietlow, A novel Lagrangian-based method for the deconvolution of electron energy-loss spectra. Universitätsbibliothek Paderborn, 2025. mla: Zietlow, Christian. A Novel Lagrangian-Based Method for the Deconvolution of Electron Energy-Loss Spectra. Universitätsbibliothek Paderborn, 2025, doi:10.17619/UNIPB/1-2438. short: C. Zietlow, A Novel Lagrangian-Based Method for the Deconvolution of Electron Energy-Loss Spectra, Universitätsbibliothek Paderborn, 2025. date_created: 2026-02-04T06:57:14Z date_updated: 2026-02-04T12:28:17Z department: - _id: '15' doi: 10.17619/UNIPB/1-2438 language: - iso: eng main_file_link: - open_access: '1' oa: '1' publication_status: published publisher: Universitätsbibliothek Paderborn related_material: link: - relation: software url: https://doi.org/10.17619/UNIPB/1-2438 status: public supervisor: - first_name: Jörg K. N. full_name: Lindner, Jörg K. N. id: '20797' last_name: Lindner title: A novel Lagrangian-based method for the deconvolution of electron energy-loss spectra type: dissertation user_id: '77368' year: '2025' ... --- _id: '63882' article_number: '120867' author: - first_name: Lars full_name: Dinkelbach, Lars last_name: Dinkelbach - first_name: Stefan A. full_name: Wudy, Stefan A. last_name: Wudy - first_name: Michaela F. full_name: Hartmann, Michaela F. last_name: Hartmann - first_name: Lars full_name: Libuda, Lars last_name: Libuda - first_name: Manuel full_name: Föcker, Manuel last_name: Föcker - first_name: Johannes full_name: Hebebrand, Johannes last_name: Hebebrand - first_name: Anke full_name: Hinney, Anke last_name: Hinney - first_name: Ute full_name: Nöthlings, Ute last_name: Nöthlings - first_name: Ute full_name: Alexy, Ute last_name: Alexy - first_name: Corinna full_name: Grasemann, Corinna last_name: Grasemann - first_name: Raphael full_name: Hirtz, Raphael last_name: Hirtz citation: ama: Dinkelbach L, Wudy SA, Hartmann MF, et al. Urinary steroid metabolome shows adrenal, gonadal, and neuroactive steroid dysregulation in adolescents with depressive symptoms. Journal of Affective Disorders. 2025;399. doi:10.1016/j.jad.2025.120867 apa: Dinkelbach, L., Wudy, S. A., Hartmann, M. F., Libuda, L., Föcker, M., Hebebrand, J., Hinney, A., Nöthlings, U., Alexy, U., Grasemann, C., & Hirtz, R. (2025). Urinary steroid metabolome shows adrenal, gonadal, and neuroactive steroid dysregulation in adolescents with depressive symptoms. Journal of Affective Disorders, 399, Article 120867. https://doi.org/10.1016/j.jad.2025.120867 bibtex: '@article{Dinkelbach_Wudy_Hartmann_Libuda_Föcker_Hebebrand_Hinney_Nöthlings_Alexy_Grasemann_et al._2025, title={Urinary steroid metabolome shows adrenal, gonadal, and neuroactive steroid dysregulation in adolescents with depressive symptoms}, volume={399}, DOI={10.1016/j.jad.2025.120867}, number={120867}, journal={Journal of Affective Disorders}, publisher={Elsevier BV}, author={Dinkelbach, Lars and Wudy, Stefan A. and Hartmann, Michaela F. and Libuda, Lars and Föcker, Manuel and Hebebrand, Johannes and Hinney, Anke and Nöthlings, Ute and Alexy, Ute and Grasemann, Corinna and et al.}, year={2025} }' chicago: Dinkelbach, Lars, Stefan A. Wudy, Michaela F. Hartmann, Lars Libuda, Manuel Föcker, Johannes Hebebrand, Anke Hinney, et al. “Urinary Steroid Metabolome Shows Adrenal, Gonadal, and Neuroactive Steroid Dysregulation in Adolescents with Depressive Symptoms.” Journal of Affective Disorders 399 (2025). https://doi.org/10.1016/j.jad.2025.120867. ieee: 'L. Dinkelbach et al., “Urinary steroid metabolome shows adrenal, gonadal, and neuroactive steroid dysregulation in adolescents with depressive symptoms,” Journal of Affective Disorders, vol. 399, Art. no. 120867, 2025, doi: 10.1016/j.jad.2025.120867.' mla: Dinkelbach, Lars, et al. “Urinary Steroid Metabolome Shows Adrenal, Gonadal, and Neuroactive Steroid Dysregulation in Adolescents with Depressive Symptoms.” Journal of Affective Disorders, vol. 399, 120867, Elsevier BV, 2025, doi:10.1016/j.jad.2025.120867. short: L. Dinkelbach, S.A. Wudy, M.F. Hartmann, L. Libuda, M. Föcker, J. Hebebrand, A. Hinney, U. Nöthlings, U. Alexy, C. Grasemann, R. Hirtz, Journal of Affective Disorders 399 (2025). date_created: 2026-02-05T09:22:45Z date_updated: 2026-02-05T09:22:55Z department: - _id: '35' - _id: '17' - _id: '22' doi: 10.1016/j.jad.2025.120867 intvolume: ' 399' language: - iso: eng publication: Journal of Affective Disorders publication_identifier: issn: - 0165-0327 publication_status: published publisher: Elsevier BV status: public title: Urinary steroid metabolome shows adrenal, gonadal, and neuroactive steroid dysregulation in adolescents with depressive symptoms type: journal_article user_id: '88682' volume: 399 year: '2025' ... --- _id: '64071' abstract: - lang: eng text: Stimulated by the renewed interest and recent developments in semi-empirical quantum chemical (SQC) methods for noncovalent interactions, we examine the properties of liquid water at ambient conditions by means of molecular dynamics (MD) simulations, both with the conventional NDDO-type (neglect of diatomic differential overlap) methods, e.g. AM1 and PM6, and with DFTB-type (density-functional tight-binding) methods, e.g. DFTB2 and GFN-xTB. Besides the original parameter sets, some specifically reparametrized SQC methods (denoted as AM1-W, PM6-fm, and DFTB2-iBi) targeting various smaller water systems ranging from molecular clusters to bulk are considered as well. The quality of these different SQC methods for describing liquid water properties at ambient conditions are assessed by comparison to well-established experimental data and also to BLYP-D3 density functional theory-based ab initio MD simulations. Our analyses reveal that static and dynamics properties of bulk water are poorly described by all considered SQC methods with the original parameters, regardless of the underlying theoretical models, with most of the methods suffering from too weak hydrogen bonds and hence predicting a far too fluid water with highly distorted hydrogen bond kinetics. On the other hand, the reparametrized force-matchcd PM6-fm method is shown to be able to quantitatively reproduce the static and dynamic features of liquid water, and thus can be used as a computationally efficient alternative to electronic structure-based MD simulations for liquid water that requires extended length and time scales. DFTB2-iBi predicts a slightly overstructured water with reduced fluidity, whereas AM1-W gives an amorphous ice-like structure for water at ambient conditions. author: - first_name: Xin full_name: Wu, Xin id: '77439' last_name: Wu - first_name: Hossam full_name: Elgabarty, Hossam id: '60250' last_name: Elgabarty orcid: 0000-0002-4945-1481 - first_name: Vahideh full_name: Alizadeh, Vahideh last_name: Alizadeh - first_name: Andres full_name: Henao Aristizabal, Andres id: '67235' last_name: Henao Aristizabal - first_name: Frederik full_name: Zysk, Frederik id: '14757' last_name: Zysk - first_name: Christian full_name: Plessl, Christian id: '16153' last_name: Plessl orcid: 0000-0001-5728-9982 - first_name: Sebastian full_name: Ehlert, Sebastian last_name: Ehlert - first_name: Jürg full_name: Hutter, Jürg last_name: Hutter - first_name: Thomas D. full_name: Kühne, Thomas D. id: '49079' last_name: Kühne citation: ama: Wu X, Elgabarty H, Alizadeh V, et al. Benchmarking semi-empirical quantum chemical methods on liquid water. Published online 2025. apa: Wu, X., Elgabarty, H., Alizadeh, V., Henao Aristizabal, A., Zysk, F., Plessl, C., Ehlert, S., Hutter, J., & Kühne, T. D. (2025). Benchmarking semi-empirical quantum chemical methods on liquid water. bibtex: '@article{Wu_Elgabarty_Alizadeh_Henao Aristizabal_Zysk_Plessl_Ehlert_Hutter_Kühne_2025, title={Benchmarking semi-empirical quantum chemical methods on liquid water}, author={Wu, Xin and Elgabarty, Hossam and Alizadeh, Vahideh and Henao Aristizabal, Andres and Zysk, Frederik and Plessl, Christian and Ehlert, Sebastian and Hutter, Jürg and Kühne, Thomas D.}, year={2025} }' chicago: Wu, Xin, Hossam Elgabarty, Vahideh Alizadeh, Andres Henao Aristizabal, Frederik Zysk, Christian Plessl, Sebastian Ehlert, Jürg Hutter, and Thomas D. Kühne. “Benchmarking Semi-Empirical Quantum Chemical Methods on Liquid Water,” 2025. ieee: X. Wu et al., “Benchmarking semi-empirical quantum chemical methods on liquid water.” 2025. mla: Wu, Xin, et al. Benchmarking Semi-Empirical Quantum Chemical Methods on Liquid Water. 2025. short: X. Wu, H. Elgabarty, V. Alizadeh, A. Henao Aristizabal, F. Zysk, C. Plessl, S. Ehlert, J. Hutter, T.D. Kühne, (2025). date_created: 2026-02-09T09:03:41Z date_updated: 2026-02-09T09:17:07Z department: - _id: '27' - _id: '2' language: - iso: eng main_file_link: - url: https://arxiv.org/abs/2503.11867 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing status: public title: Benchmarking semi-empirical quantum chemical methods on liquid water type: preprint user_id: '77439' year: '2025' ... --- _id: '63745' abstract: - lang: eng text: Multimode squeezed light is an increasingly popular tool in photonic quantum technologies, including sensing, imaging, and computation. Meanwhile, the existing methods of its characterization are technically complicated, which reduces the level of squeezing, and mostly deal with a single mode at a time. Here, for the first time, to the best of our knowledge, we employ optical parametric amplification to characterize multiple squeezing eigenmodes simultaneously. We retrieve the shapes and squeezing degrees of all modes at once through direct detection followed by modal decomposition. This method is tolerant to inefficient detection and does not require a local oscillator. For a spectrally and spatially multimode squeezed vacuum, we characterize eight strongest spatial modes, obtaining squeezing and anti-squeezing values of up to −5.2 ± 0.2 dB and 8.6 ± 0.3 dB, respectively, despite the 50% detection loss. This work, being the first exploration of an optical parametric amplifier’s multimode capability for squeezing detection, paves the way for the real-time detection of multimode squeezing. article_number: '36' article_type: original author: - first_name: Ismail full_name: Barakat, Ismail last_name: Barakat - first_name: Mahmoud full_name: Kalash, Mahmoud last_name: Kalash - first_name: Dennis full_name: Scharwald, Dennis id: '55907' last_name: Scharwald orcid: 0009-0007-5654-5412 - first_name: Polina full_name: Sharapova, Polina id: '60286' last_name: Sharapova - first_name: Norbert full_name: Lindlein, Norbert last_name: Lindlein - first_name: Maria full_name: Chekhova, Maria last_name: Chekhova citation: ama: Barakat I, Kalash M, Scharwald D, Sharapova P, Lindlein N, Chekhova M. Simultaneous measurement of multimode squeezing through multimode phase-sensitive amplification. Optica Quantum. 2025;3(1). doi:10.1364/opticaq.524682 apa: Barakat, I., Kalash, M., Scharwald, D., Sharapova, P., Lindlein, N., & Chekhova, M. (2025). Simultaneous measurement of multimode squeezing through multimode phase-sensitive amplification. Optica Quantum, 3(1), Article 36. https://doi.org/10.1364/opticaq.524682 bibtex: '@article{Barakat_Kalash_Scharwald_Sharapova_Lindlein_Chekhova_2025, title={Simultaneous measurement of multimode squeezing through multimode phase-sensitive amplification}, volume={3}, DOI={10.1364/opticaq.524682}, number={136}, journal={Optica Quantum}, publisher={Optica Publishing Group}, author={Barakat, Ismail and Kalash, Mahmoud and Scharwald, Dennis and Sharapova, Polina and Lindlein, Norbert and Chekhova, Maria}, year={2025} }' chicago: Barakat, Ismail, Mahmoud Kalash, Dennis Scharwald, Polina Sharapova, Norbert Lindlein, and Maria Chekhova. “Simultaneous Measurement of Multimode Squeezing through Multimode Phase-Sensitive Amplification.” Optica Quantum 3, no. 1 (2025). https://doi.org/10.1364/opticaq.524682. ieee: 'I. Barakat, M. Kalash, D. Scharwald, P. Sharapova, N. Lindlein, and M. Chekhova, “Simultaneous measurement of multimode squeezing through multimode phase-sensitive amplification,” Optica Quantum, vol. 3, no. 1, Art. no. 36, 2025, doi: 10.1364/opticaq.524682.' mla: Barakat, Ismail, et al. “Simultaneous Measurement of Multimode Squeezing through Multimode Phase-Sensitive Amplification.” Optica Quantum, vol. 3, no. 1, 36, Optica Publishing Group, 2025, doi:10.1364/opticaq.524682. short: I. Barakat, M. Kalash, D. Scharwald, P. Sharapova, N. Lindlein, M. Chekhova, Optica Quantum 3 (2025). date_created: 2026-01-26T15:57:13Z date_updated: 2026-02-10T22:44:44Z department: - _id: '15' - _id: '569' - _id: '170' - _id: '35' - _id: '429' doi: 10.1364/opticaq.524682 intvolume: ' 3' issue: '1' language: - iso: eng main_file_link: - open_access: '1' url: https://opg.optica.org/opticaq/viewmedia.cfm?uri=opticaq-3-1-36&seq=0 oa: '1' project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '56' name: TRR 142 - Project Area C - _id: '174' name: 'TRR 142 ; TP: C10: Erzeugung und Charakterisierung von Quantenlicht in nichtlinearen Systemen: Eine theoretische Analyse' - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Optica Quantum publication_identifier: issn: - 2837-6714 publication_status: published publisher: Optica Publishing Group status: public title: Simultaneous measurement of multimode squeezing through multimode phase-sensitive amplification type: journal_article user_id: '55907' volume: 3 year: '2025' ... --- _id: '64662' abstract: - lang: eng text: "\r\n In this study, we investigate the impact of chromium-induced point defects on the nonlinear optical properties and electric-field-induced second harmonic generation (EFISH) in rutile titanium dioxide (TiO\r\n 2\r\n \ ). Chromium thin films were deposited by electron beam evaporation on (001)-oriented bulk TiO\r\n 2\r\n substrates and subsequently diffused into the lattice in a tube furnace under a nitrogen atmosphere at 900 °C. The introduction of chromium significantly enhanced the third harmonic generation (THG) of a 1560 nm laser, with an amplification factor of up to 8.3, indicative of an enhanced third-order nonlinear susceptibility,\r\n \ χ\r\n (3)\r\n \ . Moreover, the application of an external voltage induced a pronounced EFISH signal in the chromium-doped samples, further confirming the enhanced nonlinear response. These results demonstrate that defect engineering via chromium doping in rutile TiO\r\n 2\r\n \ offers a promising pathway for the development of high-performance nonlinear optical devices.\r\n " article_number: '54320' author: - first_name: Marius full_name: Brinkmann, Marius last_name: Brinkmann - first_name: Falco full_name: Meier, Falco last_name: Meier - first_name: Vladimir full_name: Spedt, Vladimir last_name: Spedt - first_name: Cedrik full_name: Meier, Cedrik id: '20798' last_name: Meier orcid: https://orcid.org/0000-0002-3787-3572 citation: ama: Brinkmann M, Meier F, Spedt V, Meier C. Boosting third-order nonlinearities in rutile TiO2 by chromium doping. Optics Express. 2025;33(26). doi:10.1364/oe.572063 apa: Brinkmann, M., Meier, F., Spedt, V., & Meier, C. (2025). Boosting third-order nonlinearities in rutile TiO2 by chromium doping. Optics Express, 33(26), Article 54320. https://doi.org/10.1364/oe.572063 bibtex: '@article{Brinkmann_Meier_Spedt_Meier_2025, title={Boosting third-order nonlinearities in rutile TiO2 by chromium doping}, volume={33}, DOI={10.1364/oe.572063}, number={2654320}, journal={Optics Express}, publisher={Optica Publishing Group}, author={Brinkmann, Marius and Meier, Falco and Spedt, Vladimir and Meier, Cedrik}, year={2025} }' chicago: Brinkmann, Marius, Falco Meier, Vladimir Spedt, and Cedrik Meier. “Boosting Third-Order Nonlinearities in Rutile TiO2 by Chromium Doping.” Optics Express 33, no. 26 (2025). https://doi.org/10.1364/oe.572063. ieee: 'M. Brinkmann, F. Meier, V. Spedt, and C. Meier, “Boosting third-order nonlinearities in rutile TiO2 by chromium doping,” Optics Express, vol. 33, no. 26, Art. no. 54320, 2025, doi: 10.1364/oe.572063.' mla: Brinkmann, Marius, et al. “Boosting Third-Order Nonlinearities in Rutile TiO2 by Chromium Doping.” Optics Express, vol. 33, no. 26, 54320, Optica Publishing Group, 2025, doi:10.1364/oe.572063. short: M. Brinkmann, F. Meier, V. Spedt, C. Meier, Optics Express 33 (2025). date_created: 2026-02-26T09:43:53Z date_updated: 2026-02-26T09:44:49Z department: - _id: '15' doi: 10.1364/oe.572063 intvolume: ' 33' issue: '26' language: - iso: eng publication: Optics Express publication_identifier: issn: - 1094-4087 publication_status: published publisher: Optica Publishing Group status: public title: Boosting third-order nonlinearities in rutile TiO2 by chromium doping type: journal_article user_id: '20798' volume: 33 year: '2025' ... --- _id: '61241' abstract: - lang: eng text: "Abstract\r\n Given the presence of fake news and pseudoscience (often disguised as physics), the importance of inoculating citizens against this type of misinformation has gained increasing attention in education. This is a goal that all subjects should pursue equally from their respective disciplinary perspectives. 
The paper presents a teaching approach to protect physics students from misinformation and pseudoscience by combining these three common strategies: First, understanding the fundamental principles of the Nature of Science. Second, identifying techniques of Science Denial. And third, applying heuristics for evaluating (supposedly) scientific information. Finally, the paper offers practical suggestions for applying these strategies in a master's-level physics course, using examples from the field of physics." author: - first_name: Yvonne full_name: Webersen, Yvonne id: '9605' last_name: Webersen - first_name: Josef full_name: Riese, Josef id: '429' last_name: Riese orcid: 0000-0003-2927-2619 citation: ama: Webersen Y, Riese J. Protecting physics students from pseudoscience - combining strategies for a comprehensive teaching approach. European Journal of Physics. Published online 2025. doi:10.1088/1361-6404/ae03f6 apa: Webersen, Y., & Riese, J. (2025). Protecting physics students from pseudoscience - combining strategies for a comprehensive teaching approach. European Journal of Physics. https://doi.org/10.1088/1361-6404/ae03f6 bibtex: '@article{Webersen_Riese_2025, title={Protecting physics students from pseudoscience - combining strategies for a comprehensive teaching approach}, DOI={10.1088/1361-6404/ae03f6}, journal={European Journal of Physics}, publisher={IOP Publishing}, author={Webersen, Yvonne and Riese, Josef}, year={2025} }' chicago: Webersen, Yvonne, and Josef Riese. “Protecting Physics Students from Pseudoscience - Combining Strategies for a Comprehensive Teaching Approach.” European Journal of Physics, 2025. https://doi.org/10.1088/1361-6404/ae03f6. ieee: 'Y. Webersen and J. Riese, “Protecting physics students from pseudoscience - combining strategies for a comprehensive teaching approach,” European Journal of Physics, 2025, doi: 10.1088/1361-6404/ae03f6.' mla: Webersen, Yvonne, and Josef Riese. “Protecting Physics Students from Pseudoscience - Combining Strategies for a Comprehensive Teaching Approach.” European Journal of Physics, IOP Publishing, 2025, doi:10.1088/1361-6404/ae03f6. short: Y. Webersen, J. Riese, European Journal of Physics (2025). date_created: 2025-09-12T08:17:46Z date_updated: 2025-09-12T08:21:26Z department: - _id: '299' doi: 10.1088/1361-6404/ae03f6 language: - iso: eng publication: European Journal of Physics publication_identifier: issn: - 0143-0807 - 1361-6404 publication_status: published publisher: IOP Publishing status: public title: Protecting physics students from pseudoscience - combining strategies for a comprehensive teaching approach type: journal_article user_id: '9605' year: '2025' ... --- _id: '61245' article_number: '032404' author: - first_name: Franziska full_name: Barkhausen, Franziska id: '63631' last_name: Barkhausen - first_name: Laura full_name: Ares Santos, Laura last_name: Ares Santos - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Jan full_name: Sperling, Jan id: '75127' last_name: Sperling orcid: 0000-0002-5844-3205 citation: ama: 'Barkhausen F, Ares Santos L, Schumacher S, Sperling J. Entanglement between dependent degrees of freedom: Quasiparticle correlations. Physical Review A. 2025;111(3). doi:10.1103/physreva.111.032404' apa: 'Barkhausen, F., Ares Santos, L., Schumacher, S., & Sperling, J. (2025). Entanglement between dependent degrees of freedom: Quasiparticle correlations. Physical Review A, 111(3), Article 032404. https://doi.org/10.1103/physreva.111.032404' bibtex: '@article{Barkhausen_Ares Santos_Schumacher_Sperling_2025, title={Entanglement between dependent degrees of freedom: Quasiparticle correlations}, volume={111}, DOI={10.1103/physreva.111.032404}, number={3032404}, journal={Physical Review A}, publisher={American Physical Society (APS)}, author={Barkhausen, Franziska and Ares Santos, Laura and Schumacher, Stefan and Sperling, Jan}, year={2025} }' chicago: 'Barkhausen, Franziska, Laura Ares Santos, Stefan Schumacher, and Jan Sperling. “Entanglement between Dependent Degrees of Freedom: Quasiparticle Correlations.” Physical Review A 111, no. 3 (2025). https://doi.org/10.1103/physreva.111.032404.' ieee: 'F. Barkhausen, L. Ares Santos, S. Schumacher, and J. Sperling, “Entanglement between dependent degrees of freedom: Quasiparticle correlations,” Physical Review A, vol. 111, no. 3, Art. no. 032404, 2025, doi: 10.1103/physreva.111.032404.' mla: 'Barkhausen, Franziska, et al. “Entanglement between Dependent Degrees of Freedom: Quasiparticle Correlations.” Physical Review A, vol. 111, no. 3, 032404, American Physical Society (APS), 2025, doi:10.1103/physreva.111.032404.' short: F. Barkhausen, L. Ares Santos, S. Schumacher, J. Sperling, Physical Review A 111 (2025). date_created: 2025-09-12T10:37:34Z date_updated: 2025-09-12T10:42:16Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '706' - _id: '35' - _id: '230' - _id: '623' - _id: '429' doi: 10.1103/physreva.111.032404 intvolume: ' 111' issue: '3' language: - iso: eng project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: TRR 142 - Project Area A - _id: '56' name: TRR 142 - Project Area C - _id: '61' name: 'TRR 142; TP A04: Nichtlineare Quantenprozesstomographie und Photonik mit Polaritonen in Mikrokavitäten' - _id: '174' name: 'TRR 142 ; TP: C10: Erzeugung und Charakterisierung von Quantenlicht in nichtlinearen Systemen: Eine theoretische Analyse' - _id: '266' name: 'PhoQC: Photonisches Quantencomputing' publication: Physical Review A publication_identifier: issn: - 2469-9926 - 2469-9934 publication_status: published publisher: American Physical Society (APS) status: public title: 'Entanglement between dependent degrees of freedom: Quasiparticle correlations' type: journal_article user_id: '16199' volume: 111 year: '2025' ... --- _id: '61246' abstract: - lang: eng text: "Abstract\r\n The time-dependent one-dimensional nonlinear Schrödinger equation (NLSE) is solved numerically by a hybrid pseudospectral-variational quantum algorithm that connects a pseudospectral step for the Hamiltonian term with a variational step for the nonlinear term. The Hamiltonian term is treated as an integrating factor by forward and backward Fourier transforms, which are here carried out classically. This split allows us to avoid higher-order time integration schemes, to apply a first-order explicit time stepping for the remaining nonlinear NLSE term in a variational algorithm block, and thus to avoid numerical instabilities. We demonstrate that the analytical solution is reproduced with a small root mean square error for a long time interval over which a nonlinear soliton propagates significantly forward in space while keeping its shape. We analyze the accuracy and complexity of the quantum algorithm, the expressibility of the ansatz circuit and compare it with classical approaches. Furthermore, we investigate the influence of algorithm parameters on the accuracy of the results, including the temporal step width and the depth of the quantum circuit." article_number: '23478' author: - first_name: Nikolas full_name: Köcher, Nikolas id: '79191' last_name: Köcher - first_name: Hendrik full_name: Rose, Hendrik id: '55958' last_name: Rose orcid: 0000-0002-3079-5428 - first_name: Sachin S. full_name: Bharadwaj, Sachin S. last_name: Bharadwaj - first_name: Jörg full_name: Schumacher, Jörg last_name: Schumacher - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Köcher N, Rose H, Bharadwaj SS, Schumacher J, Schumacher S. Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm. Scientific Reports. 2025;15(1). doi:10.1038/s41598-025-05660-3 apa: Köcher, N., Rose, H., Bharadwaj, S. S., Schumacher, J., & Schumacher, S. (2025). Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm. Scientific Reports, 15(1), Article 23478. https://doi.org/10.1038/s41598-025-05660-3 bibtex: '@article{Köcher_Rose_Bharadwaj_Schumacher_Schumacher_2025, title={Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm}, volume={15}, DOI={10.1038/s41598-025-05660-3}, number={123478}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Köcher, Nikolas and Rose, Hendrik and Bharadwaj, Sachin S. and Schumacher, Jörg and Schumacher, Stefan}, year={2025} }' chicago: Köcher, Nikolas, Hendrik Rose, Sachin S. Bharadwaj, Jörg Schumacher, and Stefan Schumacher. “Numerical Solution of Nonlinear Schrödinger Equation by a Hybrid Pseudospectral-Variational Quantum Algorithm.” Scientific Reports 15, no. 1 (2025). https://doi.org/10.1038/s41598-025-05660-3. ieee: 'N. Köcher, H. Rose, S. S. Bharadwaj, J. Schumacher, and S. Schumacher, “Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm,” Scientific Reports, vol. 15, no. 1, Art. no. 23478, 2025, doi: 10.1038/s41598-025-05660-3.' mla: Köcher, Nikolas, et al. “Numerical Solution of Nonlinear Schrödinger Equation by a Hybrid Pseudospectral-Variational Quantum Algorithm.” Scientific Reports, vol. 15, no. 1, 23478, Springer Science and Business Media LLC, 2025, doi:10.1038/s41598-025-05660-3. short: N. Köcher, H. Rose, S.S. Bharadwaj, J. Schumacher, S. Schumacher, Scientific Reports 15 (2025). date_created: 2025-09-12T10:43:29Z date_updated: 2025-09-12T10:57:22Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '35' - _id: '230' - _id: '27' doi: 10.1038/s41598-025-05660-3 intvolume: ' 15' issue: '1' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '445' name: Hochleistungsrechner Noctua in Paderborn publication: Scientific Reports publication_identifier: issn: - 2045-2322 publication_status: published publisher: Springer Science and Business Media LLC status: public title: Numerical solution of nonlinear Schrödinger equation by a hybrid pseudospectral-variational quantum algorithm type: journal_article user_id: '16199' volume: 15 year: '2025' ... --- _id: '61249' article_number: '024029' author: - first_name: Qiang full_name: Ai, Qiang last_name: Ai - first_name: Jan full_name: Wingenbach, Jan id: '69187' last_name: Wingenbach - first_name: Xinmiao full_name: Yang, Xinmiao last_name: Yang - first_name: Jing full_name: Wei, Jing last_name: Wei - first_name: Zaharias full_name: Hatzopoulos, Zaharias last_name: Hatzopoulos - first_name: Pavlos G. full_name: Savvidis, Pavlos G. last_name: Savvidis - 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 - first_name: Tingge full_name: Gao, Tingge last_name: Gao citation: ama: Ai Q, Wingenbach J, Yang X, et al. Optically and remotely controlling localization of exciton-polariton condensates in a potential lattice. Physical Review Applied. 2025;23(2). doi:10.1103/physrevapplied.23.024029 apa: Ai, Q., Wingenbach, J., Yang, X., Wei, J., Hatzopoulos, Z., Savvidis, P. G., Schumacher, S., Ma, X., & Gao, T. (2025). Optically and remotely controlling localization of exciton-polariton condensates in a potential lattice. Physical Review Applied, 23(2), Article 024029. https://doi.org/10.1103/physrevapplied.23.024029 bibtex: '@article{Ai_Wingenbach_Yang_Wei_Hatzopoulos_Savvidis_Schumacher_Ma_Gao_2025, title={Optically and remotely controlling localization of exciton-polariton condensates in a potential lattice}, volume={23}, DOI={10.1103/physrevapplied.23.024029}, number={2024029}, journal={Physical Review Applied}, publisher={American Physical Society (APS)}, author={Ai, Qiang and Wingenbach, Jan and Yang, Xinmiao and Wei, Jing and Hatzopoulos, Zaharias and Savvidis, Pavlos G. and Schumacher, Stefan and Ma, Xuekai and Gao, Tingge}, year={2025} }' chicago: Ai, Qiang, Jan Wingenbach, Xinmiao Yang, Jing Wei, Zaharias Hatzopoulos, Pavlos G. Savvidis, Stefan Schumacher, Xuekai Ma, and Tingge Gao. “Optically and Remotely Controlling Localization of Exciton-Polariton Condensates in a Potential Lattice.” Physical Review Applied 23, no. 2 (2025). https://doi.org/10.1103/physrevapplied.23.024029. ieee: 'Q. Ai et al., “Optically and remotely controlling localization of exciton-polariton condensates in a potential lattice,” Physical Review Applied, vol. 23, no. 2, Art. no. 024029, 2025, doi: 10.1103/physrevapplied.23.024029.' mla: Ai, Qiang, et al. “Optically and Remotely Controlling Localization of Exciton-Polariton Condensates in a Potential Lattice.” Physical Review Applied, vol. 23, no. 2, 024029, American Physical Society (APS), 2025, doi:10.1103/physrevapplied.23.024029. short: Q. Ai, J. Wingenbach, X. Yang, J. Wei, Z. Hatzopoulos, P.G. Savvidis, S. Schumacher, X. Ma, T. Gao, Physical Review Applied 23 (2025). date_created: 2025-09-12T11:01:17Z date_updated: 2025-09-12T11:02:33Z department: - _id: '15' - _id: '170' - _id: '297' - _id: '705' - _id: '230' - _id: '35' - _id: '27' doi: 10.1103/physrevapplied.23.024029 intvolume: ' 23' issue: '2' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review Applied publication_identifier: issn: - 2331-7019 publication_status: published publisher: American Physical Society (APS) status: public title: Optically and remotely controlling localization of exciton-polariton condensates in a potential lattice type: journal_article user_id: '16199' volume: 23 year: '2025' ... --- _id: '61338' abstract: - lang: eng text: Conductive ferroelectric domain walls (DWs) represent a promising topical system for the development of nanoelectronic components and device sensors to be operational at elevated temperatures. DWs show very different properties as compared to their hosting bulk crystal, in particular with respect to the high local electrical conductivity. The objective of this work is to demonstrate DW conductivity up to temperatures as high as 400 °C which extends previous studies significantly. Experimental investigation of the DW conductivity of charged, inclined DWs is performed using 5 mol % MgO-doped lithium niobate single crystals. Current–voltage ( ) curves are determined by DC electrometer measurements and impedance spectroscopy and found to be identical. Moreover, impedance spectroscopy enables to recognize artifacts such as damaged electrodes. Temperature dependent measurements over repeated heating cycles reveal two distinct thermal activation energies for a given DW, with the higher of the activation energies only measured at higher temperatures. Depending on the specific sample, the higher activation energy is found above 160 °C to 230 °C. This suggests, in turn, that more than one type of defect/polaron is involved, and that the dominant transport mechanism changes with increasing temperature. First principles atomistic modeling suggests that the conductivity of inclined domain walls cannot be solely explained by the formation of a 2D carrier gas and must be supported by hopping processes. This holds true even at temperatures as high as 400 °C. Our investigations underline the potential to extend DW current based nanoelectronic and sensor applications even into the so-far unexplored temperature range up to 400 °C. article_number: '116949' article_type: original author: - first_name: Hendrik full_name: Wulfmeier, Hendrik last_name: Wulfmeier - first_name: Uliana full_name: Yakhnevych, Uliana last_name: Yakhnevych - first_name: Cornelius full_name: Boekhoff, Cornelius last_name: Boekhoff - first_name: Allan full_name: Diima, Allan last_name: Diima - first_name: Marlo full_name: Kunzner, Marlo last_name: Kunzner - first_name: Leonard M. full_name: Verhoff, Leonard M. last_name: Verhoff - first_name: Jonas full_name: Paul, Jonas last_name: Paul - first_name: Julius full_name: Ratzenberger, Julius last_name: Ratzenberger - first_name: Elke full_name: Beyreuther, Elke last_name: Beyreuther - first_name: Joshua full_name: Gössel, Joshua last_name: Gössel - first_name: Iuliia full_name: Kiseleva, Iuliia last_name: Kiseleva - first_name: Michael full_name: Rüsing, Michael id: '22501' last_name: Rüsing orcid: 0000-0003-4682-4577 - first_name: Simone full_name: Sanna, Simone last_name: Sanna - first_name: Lukas M. full_name: Eng, Lukas M. last_name: Eng - first_name: Holger full_name: Fritze, Holger last_name: Fritze citation: ama: Wulfmeier H, Yakhnevych U, Boekhoff C, et al. Demonstration of domain wall current in MgO-doped lithium niobate single crystals up to 400°C. Solid State Ionics. 2025;429. doi:10.1016/j.ssi.2025.116949 apa: Wulfmeier, H., Yakhnevych, U., Boekhoff, C., Diima, A., Kunzner, M., Verhoff, L. M., Paul, J., Ratzenberger, J., Beyreuther, E., Gössel, J., Kiseleva, I., Rüsing, M., Sanna, S., Eng, L. M., & Fritze, H. (2025). Demonstration of domain wall current in MgO-doped lithium niobate single crystals up to 400°C. Solid State Ionics, 429, Article 116949. https://doi.org/10.1016/j.ssi.2025.116949 bibtex: '@article{Wulfmeier_Yakhnevych_Boekhoff_Diima_Kunzner_Verhoff_Paul_Ratzenberger_Beyreuther_Gössel_et al._2025, title={Demonstration of domain wall current in MgO-doped lithium niobate single crystals up to 400°C}, volume={429}, DOI={10.1016/j.ssi.2025.116949}, number={116949}, journal={Solid State Ionics}, publisher={Elsevier BV}, author={Wulfmeier, Hendrik and Yakhnevych, Uliana and Boekhoff, Cornelius and Diima, Allan and Kunzner, Marlo and Verhoff, Leonard M. and Paul, Jonas and Ratzenberger, Julius and Beyreuther, Elke and Gössel, Joshua and et al.}, year={2025} }' chicago: Wulfmeier, Hendrik, Uliana Yakhnevych, Cornelius Boekhoff, Allan Diima, Marlo Kunzner, Leonard M. Verhoff, Jonas Paul, et al. “Demonstration of Domain Wall Current in MgO-Doped Lithium Niobate Single Crystals up to 400°C.” Solid State Ionics 429 (2025). https://doi.org/10.1016/j.ssi.2025.116949. ieee: 'H. Wulfmeier et al., “Demonstration of domain wall current in MgO-doped lithium niobate single crystals up to 400°C,” Solid State Ionics, vol. 429, Art. no. 116949, 2025, doi: 10.1016/j.ssi.2025.116949.' mla: Wulfmeier, Hendrik, et al. “Demonstration of Domain Wall Current in MgO-Doped Lithium Niobate Single Crystals up to 400°C.” Solid State Ionics, vol. 429, 116949, Elsevier BV, 2025, doi:10.1016/j.ssi.2025.116949. short: H. Wulfmeier, U. Yakhnevych, C. Boekhoff, A. Diima, M. Kunzner, L.M. Verhoff, J. Paul, J. Ratzenberger, E. Beyreuther, J. Gössel, I. Kiseleva, M. Rüsing, S. Sanna, L.M. Eng, H. Fritze, Solid State Ionics 429 (2025). date_created: 2025-09-17T16:18:18Z date_updated: 2025-09-17T16:19:51Z department: - _id: '15' - _id: '288' - _id: '623' doi: 10.1016/j.ssi.2025.116949 intvolume: ' 429' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1016/j.ssi.2025.116949 oa: '1' publication: Solid State Ionics publication_identifier: issn: - 0167-2738 publication_status: published publisher: Elsevier BV quality_controlled: '1' status: public title: Demonstration of domain wall current in MgO-doped lithium niobate single crystals up to 400°C type: journal_article user_id: '22501' volume: 429 year: '2025' ... --- _id: '61337' abstract: - lang: eng text: Lithium niobate–tantalate mixed (LNT) crystals promise improved performance and new applications for optical, piezomechanical, or electrical devices when compared to the end composition compounds lithium niobate and lithium tantalate. The macroscopic properties of ferroelectrics highly depend on the structure of the underlying ferroelectric domains, which within mixed crystals can interact with the local changes in chemical compositions. In this work, we demonstrate how ferroelectric domain walls can unambiguously be identified and distinguished from local changes in composition by correlating piezoresponse force microscopy with second harmonic generation microscopy, using the Cherenkov contrast, reference crystal contrast, and negative phase mismatching contrast. We demonstrate how measuring the associated intensity change when approaching negative phase mismatching can be used to deduce the local tantalum concentration fast and over a large sample area. Based on these results, we study the natural domain structures that appear from Czochralski-grown, multi-domain LNT solid solution crystals. The developed results and methods serve as the central foundation to poling these mixed crystal systems and are key for their integration and applications. article_number: '034101' author: - first_name: Boris full_name: Koppitz, Boris last_name: Koppitz - first_name: Tanya full_name: Saxena, Tanya last_name: Saxena - first_name: Felix full_name: Bernhardt, Felix last_name: Bernhardt - first_name: Steffen full_name: Ganschow, Steffen last_name: Ganschow - first_name: Simone full_name: Sanna, Simone last_name: Sanna - first_name: Michael full_name: Rüsing, Michael id: '22501' last_name: Rüsing orcid: 0000-0003-4682-4577 - first_name: Lukas M. full_name: Eng, Lukas M. last_name: Eng citation: ama: Koppitz B, Saxena T, Bernhardt F, et al. Second harmonic generation contrasts of ferroelectric domain structures and composition in lithium niobate–tantalate mixed crystals. Journal of Applied Physics. 2025;138(3). doi:10.1063/5.0276183 apa: Koppitz, B., Saxena, T., Bernhardt, F., Ganschow, S., Sanna, S., Rüsing, M., & Eng, L. M. (2025). Second harmonic generation contrasts of ferroelectric domain structures and composition in lithium niobate–tantalate mixed crystals. Journal of Applied Physics, 138(3), Article 034101. https://doi.org/10.1063/5.0276183 bibtex: '@article{Koppitz_Saxena_Bernhardt_Ganschow_Sanna_Rüsing_Eng_2025, title={Second harmonic generation contrasts of ferroelectric domain structures and composition in lithium niobate–tantalate mixed crystals}, volume={138}, DOI={10.1063/5.0276183}, number={3034101}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Koppitz, Boris and Saxena, Tanya and Bernhardt, Felix and Ganschow, Steffen and Sanna, Simone and Rüsing, Michael and Eng, Lukas M.}, year={2025} }' chicago: Koppitz, Boris, Tanya Saxena, Felix Bernhardt, Steffen Ganschow, Simone Sanna, Michael Rüsing, and Lukas M. Eng. “Second Harmonic Generation Contrasts of Ferroelectric Domain Structures and Composition in Lithium Niobate–Tantalate Mixed Crystals.” Journal of Applied Physics 138, no. 3 (2025). https://doi.org/10.1063/5.0276183. ieee: 'B. Koppitz et al., “Second harmonic generation contrasts of ferroelectric domain structures and composition in lithium niobate–tantalate mixed crystals,” Journal of Applied Physics, vol. 138, no. 3, Art. no. 034101, 2025, doi: 10.1063/5.0276183.' mla: Koppitz, Boris, et al. “Second Harmonic Generation Contrasts of Ferroelectric Domain Structures and Composition in Lithium Niobate–Tantalate Mixed Crystals.” Journal of Applied Physics, vol. 138, no. 3, 034101, AIP Publishing, 2025, doi:10.1063/5.0276183. short: B. Koppitz, T. Saxena, F. Bernhardt, S. Ganschow, S. Sanna, M. Rüsing, L.M. Eng, Journal of Applied Physics 138 (2025). date_created: 2025-09-17T16:16:04Z date_updated: 2025-09-17T16:18:02Z department: - _id: '15' - _id: '623' doi: 10.1063/5.0276183 funded_apc: '1' intvolume: ' 138' issue: '3' language: - iso: eng main_file_link: - open_access: '1' url: https://pubs.aip.org/aip/jap/article/138/3/034101/3352909 oa: '1' publication: Journal of Applied Physics publication_identifier: issn: - 0021-8979 - 1089-7550 publication_status: published publisher: AIP Publishing quality_controlled: '1' status: public title: Second harmonic generation contrasts of ferroelectric domain structures and composition in lithium niobate–tantalate mixed crystals type: journal_article user_id: '22501' volume: 138 year: '2025' ... --- _id: '61351' abstract: - lang: eng text: AbstractThe interaction of water molecules with semiconductor surfaces is relevant to various optoelectronic phenomena and physicochemical processes. Despite advances in fundamental understanding of water‐exposed surfaces, the detailed time‐ and energy‐resolved behavior of excited electrons remains largely unexplored. Here, the effects of water exposure on the near‐surface electron dynamics of phosphorus‐terminated p(2×2)/c(4×2)‐reconstructed indium phosphide (100) (P‐rich InP) are studied experimentally and matched to theoretical calculations. The P‐rich InP surface, consisting of H‐passivated P‐dimers, serves as a model for other P‐containing III‐V semiconductors such as gallium phosphide (GaP) or aluminum indium phosphide (AlInP). Electron dynamics near the surface are probed with femtosecond resolution using time‐resolved two‐photon photoemission (tr‐2PPE), a pump‐probe spectroscopic technique. Pulsed water exposure preserves electronic states and significantly increases lifetimes at the conduction band minimum (CBM). Density‐functional theory (DFT) calculations attribute these findings to suppression of surface vibrational modes in the top P‐layer by water exposure, reducing electronic transition probabilities of near‐band‐gap surface states. The results suggest that many near‐surface state lifetimes reported in ultra‐high vacuum may change significantly upon electrolyte exposure. These states may thus contribute more strongly to surface reactions than traditionally assumed. Demonstrating this effect for the technologically relevant P‐rich InP surface opens new opportunities in this underexplored area of surface electrochemistry. article_number: e00463 author: - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Marvin full_name: Krenz, Marvin last_name: Krenz - first_name: Mohammad Amin full_name: Zare Pour, Mohammad Amin last_name: Zare Pour - first_name: Diwakar Suresh full_name: Babu, Diwakar Suresh last_name: Babu - first_name: Jennifer full_name: Velazquez Rojas, Jennifer last_name: Velazquez Rojas - first_name: Christian full_name: Höhn, Christian last_name: Höhn - first_name: Yuying full_name: Gao, Yuying last_name: Gao - first_name: Klaus full_name: Schwarzburg, Klaus last_name: Schwarzburg - first_name: David full_name: Ostheimer, David last_name: Ostheimer - first_name: Rainer full_name: Eichberger, Rainer last_name: Eichberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Roel van full_name: de Krol, Roel van last_name: de Krol - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich citation: ama: Diederich J, Paszuk A, Ruiz Alvarado IA, et al. Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface. Advanced Materials Interfaces. 2025;12(16). doi:10.1002/admi.202500463 apa: Diederich, J., Paszuk, A., Ruiz Alvarado, I. A., Krenz, M., Zare Pour, M. A., Babu, D. S., Velazquez Rojas, J., Höhn, C., Gao, Y., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., de Krol, R. van, & Friedrich, D. (2025). Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface. Advanced Materials Interfaces, 12(16), Article e00463. https://doi.org/10.1002/admi.202500463 bibtex: '@article{Diederich_Paszuk_Ruiz Alvarado_Krenz_Zare Pour_Babu_Velazquez Rojas_Höhn_Gao_Schwarzburg_et al._2025, title={Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface}, volume={12}, DOI={10.1002/admi.202500463}, number={16e00463}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Diederich, Jonathan and Paszuk, Agnieszka and Ruiz Alvarado, Isaac Azahel and Krenz, Marvin and Zare Pour, Mohammad Amin and Babu, Diwakar Suresh and Velazquez Rojas, Jennifer and Höhn, Christian and Gao, Yuying and Schwarzburg, Klaus and et al.}, year={2025} }' chicago: Diederich, Jonathan, Agnieszka Paszuk, Isaac Azahel Ruiz Alvarado, Marvin Krenz, Mohammad Amin Zare Pour, Diwakar Suresh Babu, Jennifer Velazquez Rojas, et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” Advanced Materials Interfaces 12, no. 16 (2025). https://doi.org/10.1002/admi.202500463. ieee: 'J. Diederich et al., “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface,” Advanced Materials Interfaces, vol. 12, no. 16, Art. no. e00463, 2025, doi: 10.1002/admi.202500463.' mla: Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” Advanced Materials Interfaces, vol. 12, no. 16, e00463, Wiley, 2025, doi:10.1002/admi.202500463. short: J. Diederich, A. Paszuk, I.A. Ruiz Alvarado, M. Krenz, M.A. Zare Pour, D.S. Babu, J. Velazquez Rojas, C. Höhn, Y. Gao, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Materials Interfaces 12 (2025). date_created: 2025-09-18T11:03:16Z date_updated: 2025-09-18T11:06:59Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' - _id: '429' doi: 10.1002/admi.202500463 intvolume: ' 12' issue: '16' language: - iso: eng project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '55' name: TRR 142 - Project Area B - _id: '168' name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*) - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Advanced Materials Interfaces publication_identifier: issn: - 2196-7350 - 2196-7350 publication_status: published publisher: Wiley status: public title: Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface type: journal_article user_id: '16199' volume: 12 year: '2025' ... --- _id: '61356' abstract: - lang: eng text: First-principles calculations reveal how topological defects in semiconducting carbon nanotubes trap triplet excitons and enable single-photon emission at telecom wavelengths, offering new insights into their potential for photonic devices. author: - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - 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 citation: ama: Biktagirov T, Gerstmann U, Schmidt WG. Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters. Nanoscale. 2025;17(11):6884-6891. doi:10.1039/d4nr03904a apa: Biktagirov, T., Gerstmann, U., & Schmidt, W. G. (2025). Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters. Nanoscale, 17(11), 6884–6891. https://doi.org/10.1039/d4nr03904a bibtex: '@article{Biktagirov_Gerstmann_Schmidt_2025, title={Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters}, volume={17}, DOI={10.1039/d4nr03904a}, number={11}, journal={Nanoscale}, publisher={Royal Society of Chemistry (RSC)}, author={Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2025}, pages={6884–6891} }' chicago: 'Biktagirov, Timur, Uwe Gerstmann, and Wolf Gero Schmidt. “Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters.” Nanoscale 17, no. 11 (2025): 6884–91. https://doi.org/10.1039/d4nr03904a.' ieee: 'T. Biktagirov, U. Gerstmann, and W. G. Schmidt, “Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters,” Nanoscale, vol. 17, no. 11, pp. 6884–6891, 2025, doi: 10.1039/d4nr03904a.' mla: Biktagirov, Timur, et al. “Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters.” Nanoscale, vol. 17, no. 11, Royal Society of Chemistry (RSC), 2025, pp. 6884–91, doi:10.1039/d4nr03904a. short: T. Biktagirov, U. Gerstmann, W.G. Schmidt, Nanoscale 17 (2025) 6884–6891. date_created: 2025-09-18T11:23:25Z date_updated: 2025-09-18T11:26:23Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '35' - _id: '230' - _id: '27' - _id: '429' doi: 10.1039/d4nr03904a intvolume: ' 17' issue: '11' language: - iso: eng page: 6884-6891 project: - _id: '52' name: 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: '54' name: TRR 142 - Project Area A - _id: '55' name: TRR 142 - Project Area B - _id: '168' name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*) - _id: '166' name: TRR 142 - Subproject A11 publication: Nanoscale publication_identifier: issn: - 2040-3364 - 2040-3372 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters type: journal_article user_id: '16199' volume: 17 year: '2025' ... --- _id: '58519' abstract: - lang: eng text: A unified theoretical approach to describe the properties of multimode squeezed light generated in a lossy medium is presented. This approach is valid for Markovian environments and includes both a model of discrete losses based on the beamsplitter approach and a generalized continuous loss model based on the spatial Langevin equation. For an important class of Gaussian states, we derive master equations for the second-order correlation functions and illustrate their solution for both frequency-independent and frequency-dependent losses. Studying the mode structure, we demonstrate that in a lossy environment no broadband basis without quadrature correlations between the different broadband modes exists. Therefore, various techniques and strategies to introduce broadband modes can be considered. We show that the Mercer expansion and the Williamson-Euler decomposition do not provide modes in which the maximal squeezing contained in the system can be measured. In turn, we find a new broadband basis that maximizes squeezing in the lossy system and present an algorithm to construct it. article_number: '1621' author: - first_name: Denis A. full_name: Kopylov, Denis A. last_name: Kopylov - first_name: Torsten full_name: Meier, Torsten id: '344' last_name: Meier orcid: 0000-0001-8864-2072 - first_name: Polina R. full_name: Sharapova, Polina R. id: '60286' last_name: Sharapova citation: ama: Kopylov DA, Meier T, Sharapova PR. Theory of Multimode Squeezed Light Generation in Lossy Media. Quantum. 2025;9. doi:10.22331/q-2025-02-04-1621 apa: Kopylov, D. A., Meier, T., & Sharapova, P. R. (2025). Theory of Multimode Squeezed Light Generation in Lossy Media. Quantum, 9, Article 1621. https://doi.org/10.22331/q-2025-02-04-1621 bibtex: '@article{Kopylov_Meier_Sharapova_2025, title={Theory of Multimode Squeezed Light Generation in Lossy Media}, volume={9}, DOI={10.22331/q-2025-02-04-1621}, number={1621}, journal={Quantum}, publisher={Verein zur Forderung des Open Access Publizierens in den Quantenwissenschaften}, author={Kopylov, Denis A. and Meier, Torsten and Sharapova, Polina R.}, year={2025} }' chicago: Kopylov, Denis A., Torsten Meier, and Polina R. Sharapova. “Theory of Multimode Squeezed Light Generation in Lossy Media.” Quantum 9 (2025). https://doi.org/10.22331/q-2025-02-04-1621. ieee: 'D. A. Kopylov, T. Meier, and P. R. Sharapova, “Theory of Multimode Squeezed Light Generation in Lossy Media,” Quantum, vol. 9, Art. no. 1621, 2025, doi: 10.22331/q-2025-02-04-1621.' mla: Kopylov, Denis A., et al. “Theory of Multimode Squeezed Light Generation in Lossy Media.” Quantum, vol. 9, 1621, Verein zur Forderung des Open Access Publizierens in den Quantenwissenschaften, 2025, doi:10.22331/q-2025-02-04-1621. short: D.A. Kopylov, T. Meier, P.R. Sharapova, Quantum 9 (2025). date_created: 2025-02-05T12:57:37Z date_updated: 2025-09-18T13:22:26Z department: - _id: '15' - _id: '569' - _id: '170' - _id: '293' - _id: '35' - _id: '230' - _id: '623' - _id: '27' doi: 10.22331/q-2025-02-04-1621 intvolume: ' 9' language: - iso: eng project: - _id: '266' name: 'PhoQC: PhoQC: Photonisches Quantencomputing' - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Quantum publication_identifier: issn: - 2521-327X publication_status: published publisher: Verein zur Forderung des Open Access Publizierens in den Quantenwissenschaften status: public title: Theory of Multimode Squeezed Light Generation in Lossy Media type: journal_article user_id: '16199' volume: 9 year: '2025' ... --- _id: '61394' author: - first_name: Nicole full_name: Satzinger, Nicole id: '16119' last_name: Satzinger - first_name: Yvonne full_name: Fögen, Yvonne last_name: Fögen - first_name: Ida full_name: Noetzel, Ida id: '92890' last_name: Noetzel orcid: 0009-0008-5551-4638 - first_name: Miriam full_name: Kehne, Miriam id: '129' last_name: Kehne citation: ama: 'Satzinger N, Fögen Y, Noetzel I, Kehne M. “FiBSS - Fortschritt in und durch Bewegung, Spiel und Sport im Grundschulganztag” - eine Qualifizierung für das pädagogische Personal im Ganztag. In: Matzner M, Wojciechowski T, eds. Handbuch Bewegung und Sport in der Sozialen Arbeit. Beltz Juventa; 2025:507-512.' apa: Satzinger, N., Fögen, Y., Noetzel, I., & Kehne, M. (2025). “FiBSS - Fortschritt in und durch Bewegung, Spiel und Sport im Grundschulganztag” - eine Qualifizierung für das pädagogische Personal im Ganztag. In M. Matzner & T. Wojciechowski (Eds.), Handbuch Bewegung und Sport in der Sozialen Arbeit (pp. 507–512). Beltz Juventa. bibtex: '@inbook{Satzinger_Fögen_Noetzel_Kehne_2025, place={Weinheim}, title={“FiBSS - Fortschritt in und durch Bewegung, Spiel und Sport im Grundschulganztag” - eine Qualifizierung für das pädagogische Personal im Ganztag}, booktitle={Handbuch Bewegung und Sport in der Sozialen Arbeit}, publisher={Beltz Juventa}, author={Satzinger, Nicole and Fögen, Yvonne and Noetzel, Ida and Kehne, Miriam}, editor={Matzner, Michael and Wojciechowski, Torsten}, year={2025}, pages={507–512} }' chicago: 'Satzinger, Nicole, Yvonne Fögen, Ida Noetzel, and Miriam Kehne. “‘FiBSS - Fortschritt in und durch Bewegung, Spiel und Sport im Grundschulganztag’ - eine Qualifizierung für das pädagogische Personal im Ganztag.” In Handbuch Bewegung und Sport in der Sozialen Arbeit, edited by Michael Matzner and Torsten Wojciechowski, 507–12. Weinheim: Beltz Juventa, 2025.' ieee: 'N. Satzinger, Y. Fögen, I. Noetzel, and M. Kehne, “‘FiBSS - Fortschritt in und durch Bewegung, Spiel und Sport im Grundschulganztag’ - eine Qualifizierung für das pädagogische Personal im Ganztag,” in Handbuch Bewegung und Sport in der Sozialen Arbeit, M. Matzner and T. Wojciechowski, Eds. Weinheim: Beltz Juventa, 2025, pp. 507–512.' mla: Satzinger, Nicole, et al. “‘FiBSS - Fortschritt in und durch Bewegung, Spiel und Sport im Grundschulganztag’ - eine Qualifizierung für das pädagogische Personal im Ganztag.” Handbuch Bewegung und Sport in der Sozialen Arbeit, edited by Michael Matzner and Torsten Wojciechowski, Beltz Juventa, 2025, pp. 507–12. short: 'N. Satzinger, Y. Fögen, I. Noetzel, M. Kehne, in: M. Matzner, T. Wojciechowski (Eds.), Handbuch Bewegung und Sport in der Sozialen Arbeit, Beltz Juventa, Weinheim, 2025, pp. 507–512.' date_created: 2025-09-22T10:04:30Z date_updated: 2025-09-22T10:04:55Z department: - _id: '17' - _id: '318' editor: - first_name: Michael full_name: Matzner, Michael last_name: Matzner - first_name: Torsten full_name: Wojciechowski, Torsten last_name: Wojciechowski language: - iso: ger page: 507-512 place: Weinheim publication: Handbuch Bewegung und Sport in der Sozialen Arbeit publication_status: published publisher: Beltz Juventa status: public title: '"FiBSS - Fortschritt in und durch Bewegung, Spiel und Sport im Grundschulganztag" - eine Qualifizierung für das pädagogische Personal im Ganztag' type: book_chapter user_id: '129' year: '2025' ... --- _id: '61393' author: - first_name: Miriam full_name: Kehne, Miriam id: '129' last_name: Kehne - first_name: Yvonne full_name: Fögen, Yvonne last_name: Fögen - first_name: Nicole full_name: Satzinger, Nicole id: '16119' last_name: Satzinger - first_name: Ida full_name: Noetzel, Ida id: '92890' last_name: Noetzel orcid: 0009-0008-5551-4638 citation: ama: 'Kehne M, Fögen Y, Satzinger N, Noetzel I. Bewegung und Sport in der Ganztagsschule. In: Matzner M, Wojciechowski T, eds. Handbuch Bewegung Und Sport in Der Sozialen Arbeit. Beltz Juventa; 2025:261-272.' apa: Kehne, M., Fögen, Y., Satzinger, N., & Noetzel, I. (2025). Bewegung und Sport in der Ganztagsschule. In M. Matzner & T. Wojciechowski (Eds.), Handbuch Bewegung und Sport in der Sozialen Arbeit (pp. 261–272). Beltz Juventa. bibtex: '@inbook{Kehne_Fögen_Satzinger_Noetzel_2025, place={Weinheim}, title={Bewegung und Sport in der Ganztagsschule}, booktitle={Handbuch Bewegung und Sport in der Sozialen Arbeit}, publisher={Beltz Juventa}, author={Kehne, Miriam and Fögen, Yvonne and Satzinger, Nicole and Noetzel, Ida}, editor={Matzner, Michael and Wojciechowski, Torsten }, year={2025}, pages={261–272} }' chicago: 'Kehne, Miriam, Yvonne Fögen, Nicole Satzinger, and Ida Noetzel. “Bewegung Und Sport in Der Ganztagsschule.” In Handbuch Bewegung Und Sport in Der Sozialen Arbeit, edited by Michael Matzner and Torsten Wojciechowski, 261–72. Weinheim: Beltz Juventa, 2025.' ieee: 'M. Kehne, Y. Fögen, N. Satzinger, and I. Noetzel, “Bewegung und Sport in der Ganztagsschule,” in Handbuch Bewegung und Sport in der Sozialen Arbeit, M. Matzner and T. Wojciechowski, Eds. Weinheim: Beltz Juventa, 2025, pp. 261–272.' mla: Kehne, Miriam, et al. “Bewegung Und Sport in Der Ganztagsschule.” Handbuch Bewegung Und Sport in Der Sozialen Arbeit, edited by Michael Matzner and Torsten Wojciechowski, Beltz Juventa, 2025, pp. 261–72. short: 'M. Kehne, Y. Fögen, N. Satzinger, I. Noetzel, in: M. Matzner, T. Wojciechowski (Eds.), Handbuch Bewegung Und Sport in Der Sozialen Arbeit, Beltz Juventa, Weinheim, 2025, pp. 261–272.' date_created: 2025-09-22T10:00:49Z date_updated: 2025-09-22T10:01:19Z department: - _id: '17' - _id: '318' editor: - first_name: Michael full_name: Matzner, Michael last_name: Matzner - first_name: 'Torsten ' full_name: 'Wojciechowski, Torsten ' last_name: Wojciechowski language: - iso: eng page: 261-272 place: Weinheim publication: Handbuch Bewegung und Sport in der Sozialen Arbeit publisher: Beltz Juventa status: public title: Bewegung und Sport in der Ganztagsschule type: book_chapter user_id: '129' year: '2025' ... --- _id: '61279' abstract: - lang: eng text: Spin waves represent an important class of low-energy excitations in magnetic solids, which influence the thermodynamic properties and play a major role in technical applications, such as spintronics or magnetic data storage. Despite the enormous advances of ab initio simulations in materials science, quantitative calculations of spin-wave spectra still pose a significant challenge, because the collective nature of the spin dynamics requires an accurate treatment of the Coulomb interaction between the electrons. As a consequence, simple lattice models like the Heisenberg Hamiltonian are still widespread in practical investigations, but modern techniques like time-dependent density-functional theory or many-body perturbation theory also open a route to material-specific spin-wave calculations from first principles. Although both are in principle exact, actual implementations necessarily employ approximations for electronic exchange and correlation as well as additional numerical simplifications. In this review, we recapitulate the theoretical foundations of ab initio spin-wave calculations and analyze the common approximations that underlie present implementations. In addition, we survey the available results for spin-wave dispersions of various magnetic materials and compare the performance of different computational approaches. In this way, we provide an overview of the present state of the art and identify directions for further developments. article_number: '4431' article_type: review author: - first_name: Michael full_name: Neugum, Michael id: '80813' last_name: Neugum - first_name: Arno full_name: Schindlmayr, Arno id: '458' last_name: Schindlmayr orcid: 0000-0002-4855-071X citation: ama: 'Neugum M, Schindlmayr A. Ab initio calculations of spin waves: A review of theoretical approaches and applications. Materials. 2025;18(18). doi:10.3390/ma18184431' apa: 'Neugum, M., & Schindlmayr, A. (2025). Ab initio calculations of spin waves: A review of theoretical approaches and applications. Materials, 18(18), Article 4431. https://doi.org/10.3390/ma18184431' bibtex: '@article{Neugum_Schindlmayr_2025, title={Ab initio calculations of spin waves: A review of theoretical approaches and applications}, volume={18}, DOI={10.3390/ma18184431}, number={184431}, journal={Materials}, publisher={MDPI}, author={Neugum, Michael and Schindlmayr, Arno}, year={2025} }' chicago: 'Neugum, Michael, and Arno Schindlmayr. “Ab Initio Calculations of Spin Waves: A Review of Theoretical Approaches and Applications.” Materials 18, no. 18 (2025). https://doi.org/10.3390/ma18184431.' ieee: 'M. Neugum and A. Schindlmayr, “Ab initio calculations of spin waves: A review of theoretical approaches and applications,” Materials, vol. 18, no. 18, Art. no. 4431, 2025, doi: 10.3390/ma18184431.' mla: 'Neugum, Michael, and Arno Schindlmayr. “Ab Initio Calculations of Spin Waves: A Review of Theoretical Approaches and Applications.” Materials, vol. 18, no. 18, 4431, MDPI, 2025, doi:10.3390/ma18184431.' short: M. Neugum, A. Schindlmayr, Materials 18 (2025). date_created: 2025-09-15T16:14:59Z date_updated: 2025-10-10T07:31:23Z ddc: - '530' department: - _id: '296' - _id: '15' - _id: '170' - _id: '35' - _id: '230' doi: 10.3390/ma18184431 external_id: isi: - '001580599300001' file: - access_level: open_access content_type: application/pdf creator: schindlm date_created: 2025-09-24T07:19:36Z date_updated: 2025-09-24T07:19:36Z description: Creative Commons Attribution 4.0 International Public License (CC BY 4.0) file_id: '61422' file_name: materials-18-04431.pdf file_size: 611341 relation: main_file title: 'Ab initio calculations of spin waves: A review of theoretical approaches and applications' file_date_updated: 2025-09-24T07:19:36Z has_accepted_license: '1' intvolume: ' 18' isi: '1' issue: '18' language: - iso: eng oa: '1' publication: Materials publication_identifier: eissn: - 1996-1944 publication_status: published publisher: MDPI quality_controlled: '1' status: public title: 'Ab initio calculations of spin waves: A review of theoretical approaches and applications' type: journal_article user_id: '458' volume: 18 year: '2025' ... --- _id: '60959' abstract: - lang: eng text: Miller's rule originated as an empirical relation between the nonlinear and linear optical coefficients of materials. It is now accepted as a useful tool for guiding experiments and computational materials discovery, but its theoretical foundation had long been limited to a derivation for the classical Lorentz model with a weak anharmonic perturbation. Recently, we developed a mathematical framework which enabled us to prove that Miller's rule is equally valid for quantum anharmonic oscillators, despite different dynamics due to zero-point fluctuations and further quantum-mechanical effects. However, our previous derivation applied only to one-dimensional oscillators and to the special case of second- and third-harmonic generation in a monochromatic electric field. Here we extend the proof to three-dimensional quantum anharmonic oscillators and also treat all orders of the nonlinear response to an arbitrary multi-frequency field. This makes the results applicable to a much larger range of physical systems and nonlinear optical processes. The obtained generalized Miller formulae rigorously express all tensor elements of the frequency-dependent nonlinear susceptibilities in terms of the linear susceptibility and thus allow a computationally inexpensive quantitative prediction of arbitrary parametric frequency-mixing processes from a small initial dataset. article_number: '34' article_type: original author: - first_name: Maximilian Tim full_name: Meyer, Maximilian Tim id: '77895' last_name: Meyer orcid: 0009-0003-4899-0920 - first_name: Arno full_name: Schindlmayr, Arno id: '458' last_name: Schindlmayr orcid: 0000-0002-4855-071X citation: ama: Meyer MT, Schindlmayr A. Generalized Miller formulae for quantum anharmonic oscillators. Dynamics. 2025;5(3). doi:10.3390/dynamics5030034 apa: Meyer, M. T., & Schindlmayr, A. (2025). Generalized Miller formulae for quantum anharmonic oscillators. Dynamics, 5(3), Article 34. https://doi.org/10.3390/dynamics5030034 bibtex: '@article{Meyer_Schindlmayr_2025, title={Generalized Miller formulae for quantum anharmonic oscillators}, volume={5}, DOI={10.3390/dynamics5030034}, number={334}, journal={Dynamics}, publisher={MDPI}, author={Meyer, Maximilian Tim and Schindlmayr, Arno}, year={2025} }' chicago: Meyer, Maximilian Tim, and Arno Schindlmayr. “Generalized Miller Formulae for Quantum Anharmonic Oscillators.” Dynamics 5, no. 3 (2025). https://doi.org/10.3390/dynamics5030034. ieee: 'M. T. Meyer and A. Schindlmayr, “Generalized Miller formulae for quantum anharmonic oscillators,” Dynamics, vol. 5, no. 3, Art. no. 34, 2025, doi: 10.3390/dynamics5030034.' mla: Meyer, Maximilian Tim, and Arno Schindlmayr. “Generalized Miller Formulae for Quantum Anharmonic Oscillators.” Dynamics, vol. 5, no. 3, 34, MDPI, 2025, doi:10.3390/dynamics5030034. short: M.T. Meyer, A. Schindlmayr, Dynamics 5 (2025). date_created: 2025-08-20T09:46:13Z date_updated: 2025-10-10T07:29:36Z ddc: - '530' department: - _id: '296' - _id: '230' - _id: '15' - _id: '170' - _id: '35' doi: 10.3390/dynamics5030034 external_id: isi: - '001581270200001' file: - access_level: open_access content_type: application/pdf creator: schindlm date_created: 2025-08-28T12:23:26Z date_updated: 2025-08-28T12:27:05Z description: Creative Commons Attribution 4.0 International Public License (CC BY 4.0) file_id: '61056' file_name: dynamics-05-00034.pdf file_size: 375897 relation: main_file title: Generalized Miller formulae for quantum anharmonic oscillators file_date_updated: 2025-08-28T12:27:05Z has_accepted_license: '1' intvolume: ' 5' isi: '1' issue: '3' language: - iso: eng oa: '1' publication: Dynamics publication_identifier: eissn: - 2673-8716 publication_status: published publisher: MDPI quality_controlled: '1' status: public title: Generalized Miller formulae for quantum anharmonic oscillators type: journal_article user_id: '458' volume: 5 year: '2025' ... --- _id: '61821' abstract: - lang: eng text: AbstractControlling the surface orientation of DNA origami nanostructures (DON) is crucial for applications in nanotechnology and materials science. While previous work utilized various DON modifications, simple methods for controlling their landing orientation remain scarce. Here, we demonstrate a straightforward approach to control the adsorption orientation of chiral double‐L (CDL) DON on mica by tuning magnesium ion (Mg2⁺) concentration and exploiting global shape distortions. Using atomic force microscopy (AFM), we analyzed the resulting distribution of the mirror‐image orientations, referred to as S and Z orientations, at both buffer/mica and air/mica interfaces and identified conditions resulting in homogenous CDL orientation of 100% S. These results demonstrate how DON conformation and ionic environments influence DON orientation, offering insights for precise nanostructure deposition. article_number: e202507613 author: - first_name: Gangamallaiah full_name: Velpula, Gangamallaiah last_name: Velpula - first_name: Emilia full_name: Tomm, Emilia last_name: Tomm - first_name: Boxuan full_name: Shen, Boxuan last_name: Shen - first_name: Kunal S. full_name: Mali, Kunal S. last_name: Mali - first_name: Adrian Clemens full_name: Keller, Adrian Clemens id: '48864' last_name: Keller orcid: 0000-0001-7139-3110 - first_name: Steven full_name: De Feyter, Steven last_name: De Feyter citation: ama: Velpula G, Tomm E, Shen B, Mali KS, Keller AC, De Feyter S. Breaking of the Up‐Down Symmetry of DNA Origami on a Solid Substrate. Angewandte Chemie International Edition. Published online 2025. doi:10.1002/anie.202507613 apa: Velpula, G., Tomm, E., Shen, B., Mali, K. S., Keller, A. C., & De Feyter, S. (2025). Breaking of the Up‐Down Symmetry of DNA Origami on a Solid Substrate. Angewandte Chemie International Edition, Article e202507613. https://doi.org/10.1002/anie.202507613 bibtex: '@article{Velpula_Tomm_Shen_Mali_Keller_De Feyter_2025, title={Breaking of the Up‐Down Symmetry of DNA Origami on a Solid Substrate}, DOI={10.1002/anie.202507613}, number={e202507613}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Velpula, Gangamallaiah and Tomm, Emilia and Shen, Boxuan and Mali, Kunal S. and Keller, Adrian Clemens and De Feyter, Steven}, year={2025} }' chicago: Velpula, Gangamallaiah, Emilia Tomm, Boxuan Shen, Kunal S. Mali, Adrian Clemens Keller, and Steven De Feyter. “Breaking of the Up‐Down Symmetry of DNA Origami on a Solid Substrate.” Angewandte Chemie International Edition, 2025. https://doi.org/10.1002/anie.202507613. ieee: 'G. Velpula, E. Tomm, B. Shen, K. S. Mali, A. C. Keller, and S. De Feyter, “Breaking of the Up‐Down Symmetry of DNA Origami on a Solid Substrate,” Angewandte Chemie International Edition, Art. no. e202507613, 2025, doi: 10.1002/anie.202507613.' mla: Velpula, Gangamallaiah, et al. “Breaking of the Up‐Down Symmetry of DNA Origami on a Solid Substrate.” Angewandte Chemie International Edition, e202507613, Wiley, 2025, doi:10.1002/anie.202507613. short: G. Velpula, E. Tomm, B. Shen, K.S. Mali, A.C. Keller, S. De Feyter, Angewandte Chemie International Edition (2025). date_created: 2025-10-13T13:53:22Z date_updated: 2025-10-13T13:55:05Z department: - _id: '302' doi: 10.1002/anie.202507613 language: - iso: eng publication: Angewandte Chemie International Edition publication_identifier: issn: - 1433-7851 - 1521-3773 publication_status: published publisher: Wiley status: public title: Breaking of the Up‐Down Symmetry of DNA Origami on a Solid Substrate type: journal_article user_id: '48864' year: '2025' ...