[{"date_updated":"2023-08-02T15:00:47Z","author":[{"full_name":"Gavini, Vikram","last_name":"Gavini","first_name":"Vikram"},{"full_name":"Baroni, Stefano","first_name":"Stefano","last_name":"Baroni"},{"last_name":"Blum","first_name":"Volker","full_name":"Blum, Volker"},{"last_name":"Bowler","first_name":"David R.","full_name":"Bowler, David R."},{"last_name":"Buccheri","first_name":"Alexander","full_name":"Buccheri, Alexander"},{"full_name":"Chelikowsky, James R.","last_name":"Chelikowsky","first_name":"James R."},{"full_name":"Das, Sambit","first_name":"Sambit","last_name":"Das"},{"first_name":"William","last_name":"Dawson","full_name":"Dawson, William"},{"first_name":"Pietro","last_name":"Delugas","full_name":"Delugas, Pietro"},{"last_name":"Dogan","first_name":"Mehmet","full_name":"Dogan, Mehmet"},{"full_name":"Draxl, Claudia","last_name":"Draxl","first_name":"Claudia"},{"full_name":"Galli, Giulia","first_name":"Giulia","last_name":"Galli"},{"first_name":"Luigi","last_name":"Genovese","full_name":"Genovese, Luigi"},{"full_name":"Giannozzi, Paolo","last_name":"Giannozzi","first_name":"Paolo"},{"full_name":"Giantomassi, Matteo","last_name":"Giantomassi","first_name":"Matteo"},{"full_name":"Gonze, Xavier","last_name":"Gonze","first_name":"Xavier"},{"full_name":"Govoni, Marco","first_name":"Marco","last_name":"Govoni"},{"full_name":"Gulans, Andris","last_name":"Gulans","first_name":"Andris"},{"last_name":"Gygi","first_name":"François","full_name":"Gygi, François"},{"first_name":"John M.","last_name":"Herbert","full_name":"Herbert, John M."},{"first_name":"Sebastian","last_name":"Kokott","full_name":"Kokott, Sebastian"},{"id":"49079","first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas"},{"full_name":"Liou, Kai-Hsin","first_name":"Kai-Hsin","last_name":"Liou"},{"full_name":"Miyazaki, Tsuyoshi","first_name":"Tsuyoshi","last_name":"Miyazaki"},{"full_name":"Motamarri, Phani","last_name":"Motamarri","first_name":"Phani"},{"first_name":"Ayako","last_name":"Nakata","full_name":"Nakata, Ayako"},{"full_name":"Pask, John E.","first_name":"John E.","last_name":"Pask"},{"id":"16153","full_name":"Plessl, Christian","last_name":"Plessl","first_name":"Christian","orcid":"0000-0001-5728-9982"},{"last_name":"Ratcliff","first_name":"Laura E.","full_name":"Ratcliff, Laura E."},{"first_name":"Ryan M.","last_name":"Richard","full_name":"Richard, Ryan M."},{"last_name":"Rossi","first_name":"Mariana","full_name":"Rossi, Mariana"},{"last_name":"Schade","orcid":"0000-0002-6268-539","first_name":"Robert","full_name":"Schade, Robert","id":"75963"},{"full_name":"Scheffler, Matthias","last_name":"Scheffler","first_name":"Matthias"},{"last_name":"Schütt","first_name":"Ole","full_name":"Schütt, Ole"},{"full_name":"Suryanarayana, Phanish","first_name":"Phanish","last_name":"Suryanarayana"},{"last_name":"Torrent","first_name":"Marc","full_name":"Torrent, Marc"},{"full_name":"Truflandier, Lionel","last_name":"Truflandier","first_name":"Lionel"},{"full_name":"Windus, Theresa L.","first_name":"Theresa L.","last_name":"Windus"},{"full_name":"Xu, Qimen","first_name":"Qimen","last_name":"Xu"},{"first_name":"Victor W. -Z.","last_name":"Yu","full_name":"Yu, Victor W. -Z."},{"last_name":"Perez","first_name":"Danny","full_name":"Perez, Danny"}],"title":"Roadmap on Electronic Structure Codes in the Exascale Era","year":"2022","status":"public","user_id":"75963","_id":"46275","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"abstract":[{"text":"Electronic structure calculations have been instrumental in providing many\r\nimportant insights into a range of physical and chemical properties of various\r\nmolecular and solid-state systems. Their importance to various fields,\r\nincluding materials science, chemical sciences, computational chemistry and\r\ndevice physics, is underscored by the large fraction of available public\r\nsupercomputing resources devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities to increase simulation numbers, sizes,\r\nand accuracies present themselves. In order to realize these promises, the\r\ncommunity of electronic structure software developers will however first have\r\nto tackle a number of challenges pertaining to the efficient use of new\r\narchitectures that will rely heavily on massive parallelism and hardware\r\naccelerators. This roadmap provides a broad overview of the state-of-the-art in\r\nelectronic structure calculations and of the various new directions being\r\npursued by the community. It covers 14 electronic structure codes, presenting\r\ntheir current status, their development priorities over the next five years,\r\nand their plans towards tackling the challenges and leveraging the\r\nopportunities presented by the advent of exascale computing.","lang":"eng"}],"citation":{"mla":"Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale Era.” <i>ArXiv:2209.12747</i>, 2022.","bibtex":"@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747}, author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson, William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }","ama":"Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in the Exascale Era. <i>arXiv:220912747</i>. Published online 2022.","ieee":"V. Gavini <i>et al.</i>, “Roadmap on Electronic Structure Codes in the Exascale Era,” <i>arXiv:2209.12747</i>. 2022.","apa":"Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky, J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese, L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F., … Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era. In <i>arXiv:2209.12747</i>.","short":"V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky, S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi, M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott, T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl, L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P. Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D. Perez, ArXiv:2209.12747 (2022).","chicago":"Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure Codes in the Exascale Era.” <i>ArXiv:2209.12747</i>, 2022."},"publication":"arXiv:2209.12747","department":[{"_id":"27"}],"type":"preprint","date_created":"2023-08-02T14:59:18Z","external_id":{"arxiv":["2209.12747"]}},{"quality_controlled":"1","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"bibtex":"@article{Schade_Kenter_Elgabarty_Lass_Schütt_Lazzaro_Pabst_Mohr_Hutter_Kühne_et al._2022, title={Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms}, volume={111}, DOI={<a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>}, number={102920}, journal={Parallel Computing}, publisher={Elsevier BV}, author={Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas and et al.}, year={2022} }","ama":"Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. <i>Parallel Computing</i>. 2022;111. doi:<a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>","mla":"Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” <i>Parallel Computing</i>, vol. 111, 102920, Elsevier BV, 2022, doi:<a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>.","short":"R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).","chicago":"Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” <i>Parallel Computing</i> 111 (2022). <a href=\"https://doi.org/10.1016/j.parco.2022.102920\">https://doi.org/10.1016/j.parco.2022.102920</a>.","ieee":"R. Schade <i>et al.</i>, “Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms,” <i>Parallel Computing</i>, vol. 111, Art. no. 102920, 2022, doi: <a href=\"https://doi.org/10.1016/j.parco.2022.102920\">10.1016/j.parco.2022.102920</a>.","apa":"Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst, H., Mohr, S., Hutter, J., Kühne, T., &#38; Plessl, C. (2022). Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. <i>Parallel Computing</i>, <i>111</i>, Article 102920. <a href=\"https://doi.org/10.1016/j.parco.2022.102920\">https://doi.org/10.1016/j.parco.2022.102920</a>"},"oa":"1","status":"public","user_id":"75963","volume":111,"publisher":"Elsevier BV","_id":"33684","publication":"Parallel Computing","type":"journal_article","keyword":["Artificial Intelligence","Computer Graphics and Computer-Aided Design","Computer Networks and Communications","Hardware and Architecture","Theoretical Computer Science","Software"],"department":[{"_id":"613"},{"_id":"27"},{"_id":"518"}],"date_created":"2022-10-11T08:17:02Z","publication_status":"published","date_updated":"2023-08-02T15:03:55Z","intvolume":"       111","year":"2022","title":"Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms","author":[{"id":"75963","full_name":"Schade, Robert","last_name":"Schade","orcid":"0000-0002-6268-539","first_name":"Robert"},{"full_name":"Kenter, Tobias","last_name":"Kenter","first_name":"Tobias","id":"3145"},{"id":"60250","first_name":"Hossam","last_name":"Elgabarty","orcid":"0000-0002-4945-1481","full_name":"Elgabarty, Hossam"},{"first_name":"Michael","last_name":"Lass","orcid":"0000-0002-5708-7632","full_name":"Lass, Michael","id":"24135"},{"last_name":"Schütt","first_name":"Ole","full_name":"Schütt, Ole"},{"full_name":"Lazzaro, Alfio","first_name":"Alfio","last_name":"Lazzaro"},{"full_name":"Pabst, Hans","first_name":"Hans","last_name":"Pabst"},{"full_name":"Mohr, Stephan","first_name":"Stephan","last_name":"Mohr"},{"full_name":"Hutter, Jürg","last_name":"Hutter","first_name":"Jürg"},{"id":"49079","last_name":"Kühne","first_name":"Thomas","full_name":"Kühne, Thomas"},{"id":"16153","first_name":"Christian","orcid":"0000-0001-5728-9982","last_name":"Plessl","full_name":"Plessl, Christian"}],"publication_identifier":{"issn":["0167-8191"]},"doi":"10.1016/j.parco.2022.102920","article_number":"102920","main_file_link":[{"url":"https://www.sciencedirect.com/science/article/pii/S0167819122000242","open_access":"1"}],"language":[{"iso":"eng"}]},{"status":"public","year":"2022","title":"In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL","author":[{"first_name":"Marius","last_name":"Meyer","full_name":"Meyer, Marius","id":"40778"},{"id":"3145","full_name":"Kenter, Tobias","first_name":"Tobias","last_name":"Kenter"},{"id":"16153","full_name":"Plessl, Christian","orcid":"0000-0001-5728-9982","first_name":"Christian","last_name":"Plessl"}],"publication_identifier":{"issn":["0743-7315"]},"publication_status":"published","date_updated":"2023-09-26T10:26:56Z","_id":"27364","language":[{"iso":"eng"}],"user_id":"15278","doi":"10.1016/j.jpdc.2021.10.007","publication":"Journal of Parallel and Distributed Computing","citation":{"apa":"Meyer, M., Kenter, T., &#38; Plessl, C. (2022). In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL. <i>Journal of Parallel and Distributed Computing</i>. <a href=\"https://doi.org/10.1016/j.jpdc.2021.10.007\">https://doi.org/10.1016/j.jpdc.2021.10.007</a>","ieee":"M. Meyer, T. Kenter, and C. Plessl, “In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL,” <i>Journal of Parallel and Distributed Computing</i>, 2022, doi: <a href=\"https://doi.org/10.1016/j.jpdc.2021.10.007\">10.1016/j.jpdc.2021.10.007</a>.","chicago":"Meyer, Marius, Tobias Kenter, and Christian Plessl. “In-Depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs Using OpenCL.” <i>Journal of Parallel and Distributed Computing</i>, 2022. <a href=\"https://doi.org/10.1016/j.jpdc.2021.10.007\">https://doi.org/10.1016/j.jpdc.2021.10.007</a>.","short":"M. Meyer, T. Kenter, C. Plessl, Journal of Parallel and Distributed Computing (2022).","mla":"Meyer, Marius, et al. “In-Depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs Using OpenCL.” <i>Journal of Parallel and Distributed Computing</i>, 2022, doi:<a href=\"https://doi.org/10.1016/j.jpdc.2021.10.007\">10.1016/j.jpdc.2021.10.007</a>.","ama":"Meyer M, Kenter T, Plessl C. In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL. <i>Journal of Parallel and Distributed Computing</i>. Published online 2022. doi:<a href=\"https://doi.org/10.1016/j.jpdc.2021.10.007\">10.1016/j.jpdc.2021.10.007</a>","bibtex":"@article{Meyer_Kenter_Plessl_2022, title={In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL}, DOI={<a href=\"https://doi.org/10.1016/j.jpdc.2021.10.007\">10.1016/j.jpdc.2021.10.007</a>}, journal={Journal of Parallel and Distributed Computing}, author={Meyer, Marius and Kenter, Tobias and Plessl, Christian}, year={2022} }"},"quality_controlled":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2021-11-10T14:36:27Z","type":"journal_article","department":[{"_id":"27"},{"_id":"518"}]},{"file_date_updated":"2022-11-23T12:07:10Z","citation":{"short":"Y. Grynko, Y. Shkuratov, S. Alhaddad, J. Förstner, in: Copernicus GmbH, 2022.","ama":"Grynko Y, Shkuratov Y, Alhaddad S, Förstner J. Light backscattering from numerical analog of planetary regoliths. In: Copernicus GmbH; 2022. doi:<a href=\"https://doi.org/10.5194/epsc2022-151\">10.5194/epsc2022-151</a>","chicago":"Grynko, Yevgen, Yuriy Shkuratov, Samer Alhaddad, and Jens Förstner. “Light Backscattering from Numerical Analog of Planetary Regoliths.” Copernicus GmbH, 2022. <a href=\"https://doi.org/10.5194/epsc2022-151\">https://doi.org/10.5194/epsc2022-151</a>.","bibtex":"@inproceedings{Grynko_Shkuratov_Alhaddad_Förstner_2022, title={Light backscattering from numerical analog of planetary regoliths}, DOI={<a href=\"https://doi.org/10.5194/epsc2022-151\">10.5194/epsc2022-151</a>}, publisher={Copernicus GmbH}, author={Grynko, Yevgen and Shkuratov, Yuriy and Alhaddad, Samer and Förstner, Jens}, year={2022} }","mla":"Grynko, Yevgen, et al. <i>Light Backscattering from Numerical Analog of Planetary Regoliths</i>. Copernicus GmbH, 2022, doi:<a href=\"https://doi.org/10.5194/epsc2022-151\">10.5194/epsc2022-151</a>.","apa":"Grynko, Y., Shkuratov, Y., Alhaddad, S., &#38; Förstner, J. (2022). <i>Light backscattering from numerical analog of planetary regoliths</i>. 16th Europlanet Science Congress 2022, Granada, Spain. <a href=\"https://doi.org/10.5194/epsc2022-151\">https://doi.org/10.5194/epsc2022-151</a>","ieee":"Y. Grynko, Y. Shkuratov, S. Alhaddad, and J. Förstner, “Light backscattering from numerical analog of planetary regoliths,” presented at the 16th Europlanet Science Congress 2022, Granada, Spain, 2022, doi: <a href=\"https://doi.org/10.5194/epsc2022-151\">10.5194/epsc2022-151</a>."},"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"oa":"1","status":"public","conference":{"location":"Granada, Spain","start_date":"2022-09-18","name":"16th Europlanet Science Congress 2022","end_date":"2022-09-23"},"has_accepted_license":"1","_id":"34136","publisher":"Copernicus GmbH","user_id":"158","ddc":["530"],"file":[{"date_created":"2022-11-23T12:07:10Z","creator":"fossie","content_type":"application/pdf","file_id":"34137","date_updated":"2022-11-23T12:07:10Z","relation":"main_file","access_level":"open_access","file_size":645190,"file_name":"2022-09 Grynko - EPSC2022 conference -151-print.pdf"}],"date_created":"2022-11-23T12:03:29Z","type":"conference_abstract","keyword":["tet_topic_scattering"],"department":[{"_id":"61"},{"_id":"230"}],"year":"2022","title":"Light backscattering from numerical analog of planetary regoliths","author":[{"id":"26059","full_name":"Grynko, Yevgen","first_name":"Yevgen","last_name":"Grynko"},{"first_name":"Yuriy","last_name":"Shkuratov","full_name":"Shkuratov, Yuriy"},{"first_name":"Samer","last_name":"Alhaddad","full_name":"Alhaddad, Samer","id":"42456"},{"id":"158","first_name":"Jens","orcid":"0000-0001-7059-9862","last_name":"Förstner","full_name":"Förstner, Jens"}],"publication_status":"published","date_updated":"2026-01-17T16:42:35Z","language":[{"iso":"eng"}],"doi":"10.5194/epsc2022-151"},{"file_date_updated":"2023-06-12T00:22:51Z","isi":"1","citation":{"apa":"Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., &#38; Schindlmayr, A. (2022). A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate. <i>Crystals</i>, <i>12</i>(11), Article 1586. <a href=\"https://doi.org/10.3390/cryst12111586\">https://doi.org/10.3390/cryst12111586</a>","ieee":"F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate,” <i>Crystals</i>, vol. 12, no. 11, Art. no. 1586, 2022, doi: <a href=\"https://doi.org/10.3390/cryst12111586\">10.3390/cryst12111586</a>.","chicago":"Schmidt, Falko, Agnieszka L. Kozub, Uwe Gerstmann, Wolf Gero Schmidt, and Arno Schindlmayr. “A Density-Functional Theory Study of Hole and Defect-Bound Exciton Polarons in Lithium Niobate.” <i>Crystals</i> 12, no. 11 (2022). <a href=\"https://doi.org/10.3390/cryst12111586\">https://doi.org/10.3390/cryst12111586</a>.","short":"F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, Crystals 12 (2022).","mla":"Schmidt, Falko, et al. “A Density-Functional Theory Study of Hole and Defect-Bound Exciton Polarons in Lithium Niobate.” <i>Crystals</i>, vol. 12, no. 11, 1586, MDPI AG, 2022, doi:<a href=\"https://doi.org/10.3390/cryst12111586\">10.3390/cryst12111586</a>.","ama":"Schmidt F, Kozub AL, Gerstmann U, Schmidt WG, Schindlmayr A. A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate. <i>Crystals</i>. 2022;12(11). doi:<a href=\"https://doi.org/10.3390/cryst12111586\">10.3390/cryst12111586</a>","bibtex":"@article{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, title={A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate}, volume={12}, DOI={<a href=\"https://doi.org/10.3390/cryst12111586\">10.3390/cryst12111586</a>}, number={111586}, journal={Crystals}, publisher={MDPI AG}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2022} }"},"quality_controlled":"1","project":[{"name":"TRR 142: TRR 142","_id":"53"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - B: TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - B04: TRR 142 - Subproject B04","_id":"69"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Subproject B07"},{"_id":"166","name":"TRR 142 - A11: TRR 142 - Subproject A11"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"external_id":{"isi":["000895837200001"]},"oa":"1","status":"public","has_accepted_license":"1","_id":"44088","publisher":"MDPI AG","user_id":"16199","ddc":["530"],"volume":12,"issue":"11","publication":"Crystals","abstract":[{"lang":"eng","text":"Hole polarons and defect-bound exciton polarons in lithium niobate are investigated by means of density-functional theory, where the localization of the holes is achieved by applying the +U approach to the oxygen 2p orbitals. We find three principal configurations of hole polarons: (i) self-trapped holes localized at displaced regular oxygen atoms and (ii) two other configurations bound to a lithium vacancy either at a threefold coordinated oxygen atom above or at a two-fold coordinated oxygen atom below the defect. The latter is the most stable and is in excellent quantitative agreement with measured g factors from electron paramagnetic resonance. Due to the absence of mid-gap states, none of these hole polarons can explain the broad optical absorption centered between 2.5 and 2.8 eV that is observed in transient absorption spectroscopy, but such states appear if a free electron polaron is trapped at the same lithium vacancy as the bound hole polaron, resulting in an exciton polaron. The dielectric function calculated by solving the Bethe–Salpeter equation indeed yields an optical peak at 2.6 eV in agreement with the two-photon experiments. The coexistence of hole and exciton polarons, which are simultaneously created in optical excitations, thus satisfactorily explains the reported experimental data."}],"file":[{"date_updated":"2023-06-12T00:22:51Z","relation":"main_file","file_size":1762554,"access_level":"open_access","file_name":"crystals-12-01586-v2.pdf","title":"A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate","content_type":"application/pdf","file_id":"45570","creator":"schindlm","description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)","date_created":"2023-06-11T23:59:27Z"}],"date_created":"2023-04-20T13:52:44Z","type":"journal_article","department":[{"_id":"15"},{"_id":"296"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"title":"A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate","year":"2022","author":[{"orcid":"0000-0002-5071-5528","first_name":"Falko","last_name":"Schmidt","full_name":"Schmidt, Falko","id":"35251"},{"id":"77566","orcid":"0000-0001-6584-0201","first_name":"Agnieszka L.","last_name":"Kozub","full_name":"Kozub, Agnieszka L."},{"id":"171","full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X"},{"id":"468","first_name":"Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","first_name":"Arno","last_name":"Schindlmayr"}],"publication_identifier":{"eissn":["2073-4352"]},"publication_status":"published","date_updated":"2025-09-18T13:28:05Z","article_type":"original","intvolume":"        12","article_number":"1586","language":[{"iso":"eng"}],"doi":"10.3390/cryst12111586"},{"date_created":"2022-06-19T19:26:12Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"705"},{"_id":"230"},{"_id":"429"},{"_id":"35"}],"type":"journal_article","issue":"6","publication":"ACS Photonics","language":[{"iso":"eng"}],"doi":"10.1021/acsphotonics.2c00288","publication_identifier":{"issn":["2330-4022","2330-4022"]},"author":[{"last_name":"Li","first_name":"Yao","full_name":"Li, Yao"},{"full_name":"Ma, Xuekai","last_name":"Ma","first_name":"Xuekai","id":"59416"},{"full_name":"Hatzopoulos, Zaharias","first_name":"Zaharias","last_name":"Hatzopoulos"},{"full_name":"Savvidis, Pavlos G.","first_name":"Pavlos G.","last_name":"Savvidis"},{"orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271"},{"last_name":"Gao","first_name":"Tingge","full_name":"Gao, Tingge"}],"title":"Switching Off a Microcavity Polariton Condensate near the Exceptional Point","year":"2022","intvolume":"         9","publication_status":"published","date_updated":"2025-12-05T13:51:31Z","citation":{"bibtex":"@article{Li_Ma_Hatzopoulos_Savvidis_Schumacher_Gao_2022, title={Switching Off a Microcavity Polariton Condensate near the Exceptional Point}, volume={9}, DOI={<a href=\"https://doi.org/10.1021/acsphotonics.2c00288\">10.1021/acsphotonics.2c00288</a>}, number={6}, journal={ACS Photonics}, publisher={American Chemical Society (ACS)}, author={Li, Yao and Ma, Xuekai and Hatzopoulos, Zaharias and Savvidis, Pavlos G. and Schumacher, Stefan and Gao, Tingge}, year={2022}, pages={2079–2086} }","ama":"Li Y, Ma X, Hatzopoulos Z, Savvidis PG, Schumacher S, Gao T. Switching Off a Microcavity Polariton Condensate near the Exceptional Point. <i>ACS Photonics</i>. 2022;9(6):2079-2086. doi:<a href=\"https://doi.org/10.1021/acsphotonics.2c00288\">10.1021/acsphotonics.2c00288</a>","mla":"Li, Yao, et al. “Switching Off a Microcavity Polariton Condensate near the Exceptional Point.” <i>ACS Photonics</i>, vol. 9, no. 6, American Chemical Society (ACS), 2022, pp. 2079–86, doi:<a href=\"https://doi.org/10.1021/acsphotonics.2c00288\">10.1021/acsphotonics.2c00288</a>.","chicago":"Li, Yao, Xuekai Ma, Zaharias Hatzopoulos, Pavlos G. Savvidis, Stefan Schumacher, and Tingge Gao. “Switching Off a Microcavity Polariton Condensate near the Exceptional Point.” <i>ACS Photonics</i> 9, no. 6 (2022): 2079–86. <a href=\"https://doi.org/10.1021/acsphotonics.2c00288\">https://doi.org/10.1021/acsphotonics.2c00288</a>.","short":"Y. Li, X. Ma, Z. Hatzopoulos, P.G. Savvidis, S. Schumacher, T. Gao, ACS Photonics 9 (2022) 2079–2086.","ieee":"Y. Li, X. Ma, Z. Hatzopoulos, P. G. Savvidis, S. Schumacher, and T. Gao, “Switching Off a Microcavity Polariton Condensate near the Exceptional Point,” <i>ACS Photonics</i>, vol. 9, no. 6, pp. 2079–2086, 2022, doi: <a href=\"https://doi.org/10.1021/acsphotonics.2c00288\">10.1021/acsphotonics.2c00288</a>.","apa":"Li, Y., Ma, X., Hatzopoulos, Z., Savvidis, P. G., Schumacher, S., &#38; Gao, T. (2022). Switching Off a Microcavity Polariton Condensate near the Exceptional Point. <i>ACS Photonics</i>, <i>9</i>(6), 2079–2086. <a href=\"https://doi.org/10.1021/acsphotonics.2c00288\">https://doi.org/10.1021/acsphotonics.2c00288</a>"},"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"name":"TRR 142 - A4: TRR 142 - Subproject A4","_id":"61"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"_id":"31937","publisher":"American Chemical Society (ACS)","page":"2079-2086","volume":9,"user_id":"16199","status":"public"},{"intvolume":"        22","date_updated":"2025-12-05T13:57:24Z","publication_status":"published","publication_identifier":{"issn":["1530-6984","1530-6992"]},"author":[{"first_name":"Fadis F.","last_name":"Murzakhanov","full_name":"Murzakhanov, Fadis F."},{"full_name":"Mamin, Georgy Vladimirovich","last_name":"Mamin","first_name":"Georgy Vladimirovich"},{"last_name":"Orlinskii","first_name":"Sergei Borisovich","full_name":"Orlinskii, Sergei Borisovich"},{"id":"171","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","first_name":"Uwe","full_name":"Gerstmann, Uwe"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"},{"id":"65612","full_name":"Biktagirov, Timur","first_name":"Timur","last_name":"Biktagirov"},{"full_name":"Aharonovich, Igor","last_name":"Aharonovich","first_name":"Igor"},{"last_name":"Gottscholl","first_name":"Andreas","full_name":"Gottscholl, Andreas"},{"last_name":"Sperlich","first_name":"Andreas","full_name":"Sperlich, Andreas"},{"last_name":"Dyakonov","first_name":"Vladimir","full_name":"Dyakonov, Vladimir"},{"last_name":"Soltamov","first_name":"Victor A.","full_name":"Soltamov, Victor A."}],"year":"2022","title":"Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN","doi":"10.1021/acs.nanolett.1c04610","language":[{"iso":"eng"}],"publication":"Nano Letters","issue":"7","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"},{"_id":"429"},{"_id":"35"},{"_id":"790"}],"keyword":["Mechanical Engineering","Condensed Matter Physics","General Materials Science","General Chemistry","Bioengineering"],"type":"journal_article","date_created":"2023-01-20T11:21:22Z","status":"public","volume":22,"user_id":"16199","_id":"37713","publisher":"American Chemical Society (ACS)","page":"2718-2724","project":[{"_id":"53","name":"TRR 142: TRR 142"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Subproject B07"},{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"citation":{"bibtex":"@article{Murzakhanov_Mamin_Orlinskii_Gerstmann_Schmidt_Biktagirov_Aharonovich_Gottscholl_Sperlich_Dyakonov_et al._2022, title={Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN}, volume={22}, DOI={<a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>}, number={7}, journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Murzakhanov, Fadis F. and Mamin, Georgy Vladimirovich and Orlinskii, Sergei Borisovich and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur and Aharonovich, Igor and Gottscholl, Andreas and Sperlich, Andreas and Dyakonov, Vladimir and et al.}, year={2022}, pages={2718–2724} }","ama":"Murzakhanov FF, Mamin GV, Orlinskii SB, et al. Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN. <i>Nano Letters</i>. 2022;22(7):2718-2724. doi:<a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>","mla":"Murzakhanov, Fadis F., et al. “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in HBN.” <i>Nano Letters</i>, vol. 22, no. 7, American Chemical Society (ACS), 2022, pp. 2718–24, doi:<a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>.","chicago":"Murzakhanov, Fadis F., Georgy Vladimirovich Mamin, Sergei Borisovich Orlinskii, Uwe Gerstmann, Wolf Gero Schmidt, Timur Biktagirov, Igor Aharonovich, et al. “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in HBN.” <i>Nano Letters</i> 22, no. 7 (2022): 2718–24. <a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">https://doi.org/10.1021/acs.nanolett.1c04610</a>.","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.","ieee":"F. F. Murzakhanov <i>et al.</i>, “Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN,” <i>Nano Letters</i>, vol. 22, no. 7, pp. 2718–2724, 2022, doi: <a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">10.1021/acs.nanolett.1c04610</a>.","apa":"Murzakhanov, F. F., Mamin, G. V., Orlinskii, S. B., Gerstmann, U., Schmidt, W. G., Biktagirov, T., Aharonovich, I., Gottscholl, A., Sperlich, A., Dyakonov, V., &#38; Soltamov, V. A. (2022). Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN. <i>Nano Letters</i>, <i>22</i>(7), 2718–2724. <a href=\"https://doi.org/10.1021/acs.nanolett.1c04610\">https://doi.org/10.1021/acs.nanolett.1c04610</a>"}},{"publication":"New Trends in Lithium Niobate: From Bulk to Nanocrystals","abstract":[{"text":"Lithium niobate (LiNbO3), a material frequently used in optical applications, hosts different kinds of polarons that significantly affect many of its physical properties. In this study, a variety of electron polarons, namely free, bound, and bipolarons, are analyzed using first-principles calculations. We perform a full structural optimization based on density-functional theory for selected intrinsic defects with special attention to the role of symmetry-breaking distortions that lower the total energy. The cations hosting the various polarons relax to a different degree, with a larger relaxation corresponding to a larger gap between the defect level and the conduction-band edge. The projected density of states reveals that the polaron states are formerly empty Nb 4d states lowered into the band gap. Optical absorption spectra are derived within the independent-particle approximation, corrected by the GW approximation that yields a wider band gap and by including excitonic effects within the Bethe-Salpeter equation. Comparing the calculated spectra with the density of states, we find that the defect peak observed in the optical absorption stems from transitions between the defect level and a continuum of empty Nb 4d states. Signatures of polarons are further analyzed in the reflectivity and other experimentally measurable optical coefficients.","lang":"eng"}],"date_created":"2022-03-13T15:28:47Z","department":[{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"295"},{"_id":"15"},{"_id":"170"},{"_id":"35"},{"_id":"790"}],"type":"book_chapter","publication_identifier":{"eisbn":["978-3-0365-3339-1"],"isbn":["978-3-0365-3340-7"]},"author":[{"full_name":"Schmidt, Falko","first_name":"Falko","last_name":"Schmidt","orcid":"0000-0002-5071-5528","id":"35251"},{"first_name":"Agnieszka L.","orcid":"https://orcid.org/0000-0001-6584-0201","last_name":"Kozub","full_name":"Kozub, Agnieszka L.","id":"77566"},{"full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","first_name":"Uwe","last_name":"Gerstmann","id":"171"},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero","id":"468"},{"id":"458","full_name":"Schindlmayr, Arno","last_name":"Schindlmayr","first_name":"Arno","orcid":"0000-0002-4855-071X"}],"title":"Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response","year":"2022","date_updated":"2025-12-05T14:00:04Z","publication_status":"published","language":[{"iso":"eng"}],"doi":"10.3390/books978-3-0365-3339-1","citation":{"mla":"Schmidt, Falko, et al. “Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.” <i>New Trends in Lithium Niobate: From Bulk to Nanocrystals</i>, edited by Gábor Corradi and László Kovács, MDPI, 2022, pp. 231–48, doi:<a href=\"https://doi.org/10.3390/books978-3-0365-3339-1\">10.3390/books978-3-0365-3339-1</a>.","ama":"Schmidt F, Kozub AL, Gerstmann U, Schmidt WG, Schindlmayr A. Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. In: Corradi G, Kovács L, eds. <i>New Trends in Lithium Niobate: From Bulk to Nanocrystals</i>. MDPI; 2022:231-248. doi:<a href=\"https://doi.org/10.3390/books978-3-0365-3339-1\">10.3390/books978-3-0365-3339-1</a>","bibtex":"@inbook{Schmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, place={Basel}, title={Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response}, DOI={<a href=\"https://doi.org/10.3390/books978-3-0365-3339-1\">10.3390/books978-3-0365-3339-1</a>}, booktitle={New Trends in Lithium Niobate: From Bulk to Nanocrystals}, publisher={MDPI}, author={Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno}, editor={Corradi, Gábor and Kovács, László}, year={2022}, pages={231–248} }","apa":"Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., &#38; Schindlmayr, A. (2022). Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. In G. Corradi &#38; L. Kovács (Eds.), <i>New Trends in Lithium Niobate: From Bulk to Nanocrystals</i> (pp. 231–248). MDPI. <a href=\"https://doi.org/10.3390/books978-3-0365-3339-1\">https://doi.org/10.3390/books978-3-0365-3339-1</a>","ieee":"F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response,” in <i>New Trends in Lithium Niobate: From Bulk to Nanocrystals</i>, G. Corradi and L. Kovács, Eds. Basel: MDPI, 2022, pp. 231–248.","chicago":"Schmidt, Falko, Agnieszka L. Kozub, Uwe Gerstmann, Wolf Gero Schmidt, and Arno Schindlmayr. “Electron Polarons in Lithium Niobate: Charge Localization, Lattice Deformation, and Optical Response.” In <i>New Trends in Lithium Niobate: From Bulk to Nanocrystals</i>, edited by Gábor Corradi and László Kovács, 231–48. Basel: MDPI, 2022. <a href=\"https://doi.org/10.3390/books978-3-0365-3339-1\">https://doi.org/10.3390/books978-3-0365-3339-1</a>.","short":"F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, in: G. Corradi, L. Kovács (Eds.), New Trends in Lithium Niobate: From Bulk to Nanocrystals, MDPI, Basel, 2022, pp. 231–248."},"project":[{"_id":"53","name":"TRR 142: TRR 142"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - B4: TRR 142 - Subproject B4"},{"_id":"54","name":"TRR 142 - A: TRR 142 - Project Area A"},{"_id":"166","name":"TRR 142 - A11: TRR 142 - Subproject A11"},{"_id":"168","name":"TRR 142 - B07: TRR 142 - Subproject B07"},{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen","_id":"53"}],"quality_controlled":"1","place":"Basel","status":"public","_id":"30288","publisher":"MDPI","page":"231-248","editor":[{"full_name":"Corradi, Gábor","last_name":"Corradi","first_name":"Gábor"},{"first_name":"László","last_name":"Kovács","full_name":"Kovács, László"}],"ddc":["530"],"user_id":"16199"},{"citation":{"ama":"Ferreri A, Sharapova PR. Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. <i>Symmetry</i>. 2022;14(3). doi:<a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>","bibtex":"@article{Ferreri_Sharapova_2022, title={Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer}, volume={14}, DOI={<a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>}, number={3552}, journal={Symmetry}, publisher={MDPI AG}, author={Ferreri, Alessandro and Sharapova, Polina R.}, year={2022} }","mla":"Ferreri, Alessandro, and Polina R. Sharapova. “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer.” <i>Symmetry</i>, vol. 14, no. 3, 552, MDPI AG, 2022, doi:<a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>.","short":"A. Ferreri, P.R. Sharapova, Symmetry 14 (2022).","chicago":"Ferreri, Alessandro, and Polina R. Sharapova. “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer.” <i>Symmetry</i> 14, no. 3 (2022). <a href=\"https://doi.org/10.3390/sym14030552\">https://doi.org/10.3390/sym14030552</a>.","apa":"Ferreri, A., &#38; Sharapova, P. R. (2022). Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer. <i>Symmetry</i>, <i>14</i>(3), Article 552. <a href=\"https://doi.org/10.3390/sym14030552\">https://doi.org/10.3390/sym14030552</a>","ieee":"A. Ferreri and P. R. Sharapova, “Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer,” <i>Symmetry</i>, vol. 14, no. 3, Art. no. 552, 2022, doi: <a href=\"https://doi.org/10.3390/sym14030552\">10.3390/sym14030552</a>."},"project":[{"name":"TRR 142: TRR 142","_id":"53"},{"_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"}],"status":"public","_id":"40371","publisher":"MDPI AG","user_id":"16199","volume":14,"publication":"Symmetry","issue":"3","abstract":[{"lang":"eng","text":"<jats:p>Multimode integrated interferometers have great potential for both spectral engineering and metrological applications. However, the material dispersion of integrated platforms constitutes an obstacle that limits the performance and precision of such interferometers. At the same time, two-colour nonlinear interferometers present an important tool for metrological applications, when measurements in a certain frequency range are difficult. In this manuscript, we theoretically developed and investigated an integrated multimode two-colour SU(1,1) interferometer operating in a supersensitive mode. By ensuring the proper design of the integrated platform, we suppressed the dispersion, thereby significantly increasing the visibility of the interference pattern. The use of a continuous wave pump laser provided the symmetry between the spectral shapes of the signal and idler photons concerning half the pump frequency, despite different photon colours. We demonstrate that such an interferometer overcomes the classical phase sensitivity limit for wide parametric gain ranges, when up to 3×104 photons are generated.</jats:p>"}],"date_created":"2023-01-26T13:54:00Z","keyword":["Physics and Astronomy (miscellaneous)","General Mathematics","Chemistry (miscellaneous)","Computer Science (miscellaneous)"],"type":"journal_article","department":[{"_id":"15"},{"_id":"569"},{"_id":"170"},{"_id":"429"},{"_id":"230"},{"_id":"9"},{"_id":"27"}],"year":"2022","title":"Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer","author":[{"full_name":"Ferreri, Alessandro","last_name":"Ferreri","first_name":"Alessandro"},{"full_name":"Sharapova, Polina R.","last_name":"Sharapova","first_name":"Polina R.","id":"60286"}],"publication_identifier":{"issn":["2073-8994"]},"publication_status":"published","date_updated":"2025-12-16T11:27:11Z","intvolume":"        14","article_number":"552","language":[{"iso":"eng"}],"doi":"10.3390/sym14030552"},{"ddc":["000"],"user_id":"34851","language":[{"iso":"eng"}],"_id":"49113","has_accepted_license":"1","date_updated":"2024-11-15T20:34:52Z","author":[{"id":"34851","first_name":"Janek","last_name":"Ebbers","full_name":"Ebbers, Janek"},{"first_name":"Reinhold","last_name":"Haeb-Umbach","full_name":"Haeb-Umbach, Reinhold","id":"242"}],"title":"Pre-Training And Self-Training For Sound Event Detection In Domestic Environments","year":"2022","status":"public","department":[{"_id":"54"}],"type":"report","date_created":"2023-11-22T08:34:23Z","file":[{"file_size":491650,"access_level":"closed","file_name":"dcase2022_tech_report_ebbers.pdf","date_updated":"2023-11-22T08:35:23Z","relation":"main_file","success":1,"content_type":"application/pdf","file_id":"49114","creator":"ebbers","date_created":"2023-11-22T08:35:23Z"}],"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"abstract":[{"text":"In this report we present our system for the Detection and Classification of Acoustic Scenes and Events (DCASE) 2022 Challenge Task 4: Sound Event Detection in Domestic Environments 1 . As in previous editions of the Challenge, we use forward-backward convolutional recurrent neural networks (FBCRNNs) [1, 2] for weakly labeled and semi-supervised sound event detection (SED) and eventually generate strong pseudo labels for weakly labeled and unlabeled data. Then, (tag-conditioned) bidirectional CRNNs (Bi-CRNNs) [1, 2] are trained in a strongly supervised manner as our final SED models. In each of the training stages we use multiple iterations of self-training. Compared to previous editions, we improved our system performance by 1) some tweaks regarding data augmentation, pseudo labeling and inference 2) using weakly labeled AudioSet data [3] for pretraining larger networks and 3) augmenting the DESED data [4] with strongly labeled AudioSet data [5] for finetuning of the networks. Source code is publicly available at https://github.com/fgnt/pb_sed.","lang":"eng"}],"citation":{"bibtex":"@book{Ebbers_Haeb-Umbach_2022, title={Pre-Training And Self-Training For Sound Event Detection In Domestic Environments}, author={Ebbers, Janek and Haeb-Umbach, Reinhold}, year={2022} }","ama":"Ebbers J, Haeb-Umbach R. <i>Pre-Training And Self-Training For Sound Event Detection In Domestic Environments</i>.; 2022.","mla":"Ebbers, Janek, and Reinhold Haeb-Umbach. <i>Pre-Training And Self-Training For Sound Event Detection In Domestic Environments</i>. 2022.","chicago":"Ebbers, Janek, and Reinhold Haeb-Umbach. <i>Pre-Training And Self-Training For Sound Event Detection In Domestic Environments</i>, 2022.","short":"J. Ebbers, R. Haeb-Umbach, Pre-Training And Self-Training For Sound Event Detection In Domestic Environments, 2022.","ieee":"J. Ebbers and R. Haeb-Umbach, <i>Pre-Training And Self-Training For Sound Event Detection In Domestic Environments</i>. 2022.","apa":"Ebbers, J., &#38; Haeb-Umbach, R. (2022). <i>Pre-Training And Self-Training For Sound Event Detection In Domestic Environments</i>."},"file_date_updated":"2023-11-22T08:35:23Z"},{"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"mla":"Marschalt, Christoph, et al. “Far-Field Calculation from Magnetic Huygens Box Data Using the Boundary Element Method.” <i>2022 Smart Systems Integration (SSI)</i>, IEEE, 2022, doi:<a href=\"https://doi.org/10.1109/ssi56489.2022.9901431\">10.1109/ssi56489.2022.9901431</a>.","ama":"Marschalt C, Schroder D, Lange S, et al. Far-field Calculation from magnetic Huygens Box Data using the Boundary Element Method. In: <i>2022 Smart Systems Integration (SSI)</i>. IEEE; 2022. doi:<a href=\"https://doi.org/10.1109/ssi56489.2022.9901431\">10.1109/ssi56489.2022.9901431</a>","bibtex":"@inproceedings{Marschalt_Schroder_Lange_Hilleringmann_Hedayat_Kuhn_Sievers_Förstner_2022, place={Grenoble, France}, title={Far-field Calculation from magnetic Huygens Box Data using the Boundary Element Method}, DOI={<a href=\"https://doi.org/10.1109/ssi56489.2022.9901431\">10.1109/ssi56489.2022.9901431</a>}, booktitle={2022 Smart Systems Integration (SSI)}, publisher={IEEE}, author={Marschalt, Christoph and Schroder, Dominik and Lange, Sven and Hilleringmann, Ulrich and Hedayat, Christian and Kuhn, Harald and Sievers, Denis and Förstner, Jens}, year={2022} }","apa":"Marschalt, C., Schroder, D., Lange, S., Hilleringmann, U., Hedayat, C., Kuhn, H., Sievers, D., &#38; Förstner, J. (2022). Far-field Calculation from magnetic Huygens Box Data using the Boundary Element Method. <i>2022 Smart Systems Integration (SSI)</i>. 2022 Smart Systems Integration (SSI), Grenoble, France. <a href=\"https://doi.org/10.1109/ssi56489.2022.9901431\">https://doi.org/10.1109/ssi56489.2022.9901431</a>","ieee":"C. Marschalt <i>et al.</i>, “Far-field Calculation from magnetic Huygens Box Data using the Boundary Element Method,” presented at the 2022 Smart Systems Integration (SSI), Grenoble, France, 2022, doi: <a href=\"https://doi.org/10.1109/ssi56489.2022.9901431\">10.1109/ssi56489.2022.9901431</a>.","short":"C. Marschalt, D. Schroder, S. Lange, U. Hilleringmann, C. Hedayat, H. Kuhn, D. Sievers, J. Förstner, in: 2022 Smart Systems Integration (SSI), IEEE, Grenoble, France, 2022.","chicago":"Marschalt, Christoph, Dominik Schroder, Sven Lange, Ulrich Hilleringmann, Christian Hedayat, Harald Kuhn, Denis Sievers, and Jens Förstner. “Far-Field Calculation from Magnetic Huygens Box Data Using the Boundary Element Method.” In <i>2022 Smart Systems Integration (SSI)</i>. Grenoble, France: IEEE, 2022. <a href=\"https://doi.org/10.1109/ssi56489.2022.9901431\">https://doi.org/10.1109/ssi56489.2022.9901431</a>."},"place":"Grenoble, France","status":"public","conference":{"end_date":"2022-04-28","start_date":"2022-04-27","name":"2022 Smart Systems Integration (SSI)","location":"Grenoble, France"},"user_id":"158","_id":"33509","publisher":"IEEE","abstract":[{"text":"In this publication a novel method for far-field prediction from magnetic Huygens box data based on the boundary element method (BEM) is presented. Two examples are considered for the validation of this method. The first example represents an electric dipole so that the obtained calculations can be compared to an analytical solution. As a second example, a printed circuit board is considered and the calculated far-field is compared to a fullwave simulation. In both cases, the calculations for different field integral equations are under comparison, and the results indicate that the presented method performs very well with a combined field integral equation, for the specified problem, when only magnetic Huygens box data is given.","lang":"eng"}],"publication":"2022 Smart Systems Integration (SSI)","keyword":["Near-Field Scanning","Huygens Box","Boundary Element Method","Method of Moments","tet_topic_hf","tet_enas"],"type":"conference","department":[{"_id":"59"},{"_id":"61"},{"_id":"485"}],"date_created":"2022-10-04T11:31:43Z","date_updated":"2024-11-30T19:32:14Z","publication_status":"published","title":"Far-field Calculation from magnetic Huygens Box Data using the Boundary Element Method","year":"2022","author":[{"first_name":"Christoph","last_name":"Marschalt","full_name":"Marschalt, Christoph"},{"first_name":"Dominik","last_name":"Schroder","full_name":"Schroder, Dominik"},{"full_name":"Lange, Sven","last_name":"Lange","orcid":"0009-0007-9150-2266 ","first_name":"Sven","id":"38240"},{"id":"20179","first_name":"Ulrich","last_name":"Hilleringmann","full_name":"Hilleringmann, Ulrich"},{"last_name":"Hedayat","first_name":"Christian","full_name":"Hedayat, Christian"},{"full_name":"Kuhn, Harald","first_name":"Harald","last_name":"Kuhn"},{"last_name":"Sievers","first_name":"Denis","full_name":"Sievers, Denis"},{"id":"158","last_name":"Förstner","first_name":"Jens","orcid":"0000-0001-7059-9862","full_name":"Förstner, Jens"}],"publication_identifier":{"eisbn":["978-1-6654-8849-5"]},"doi":"10.1109/ssi56489.2022.9901431","main_file_link":[{"url":"https://ieeexplore.ieee.org/document/9901431"}],"language":[{"iso":"eng"}]},{"status":"public","conference":{"name":"2022 International Workshop on Acoustic Signal Enhancement (IWAENC)"},"has_accepted_license":"1","_id":"33848","publisher":"IEEE","ddc":["000"],"user_id":"40767","file_date_updated":"2023-11-15T14:52:16Z","citation":{"chicago":"Cord-Landwehr, Tobias, Christoph Boeddeker, Thilo von Neumann, Catalin Zorila, Rama Doddipatla, and Reinhold Haeb-Umbach. “Monaural Source Separation: From Anechoic to Reverberant Environments.” In <i>2022 International Workshop on Acoustic Signal Enhancement (IWAENC)</i>. Bamberg: IEEE, 2022.","short":"T. Cord-Landwehr, C. Boeddeker, T. von Neumann, C. Zorila, R. Doddipatla, R. Haeb-Umbach, in: 2022 International Workshop on Acoustic Signal Enhancement (IWAENC), IEEE, Bamberg, 2022.","ama":"Cord-Landwehr T, Boeddeker C, von Neumann T, Zorila C, Doddipatla R, Haeb-Umbach R. Monaural source separation: From anechoic to reverberant environments. In: <i>2022 International Workshop on Acoustic Signal Enhancement (IWAENC)</i>. IEEE; 2022.","bibtex":"@inproceedings{Cord-Landwehr_Boeddeker_von Neumann_Zorila_Doddipatla_Haeb-Umbach_2022, place={Bamberg}, title={Monaural source separation: From anechoic to reverberant environments}, booktitle={2022 International Workshop on Acoustic Signal Enhancement (IWAENC)}, publisher={IEEE}, author={Cord-Landwehr, Tobias and Boeddeker, Christoph and von Neumann, Thilo and Zorila, Catalin and Doddipatla, Rama and Haeb-Umbach, Reinhold}, year={2022} }","apa":"Cord-Landwehr, T., Boeddeker, C., von Neumann, T., Zorila, C., Doddipatla, R., &#38; Haeb-Umbach, R. (2022). Monaural source separation: From anechoic to reverberant environments. <i>2022 International Workshop on Acoustic Signal Enhancement (IWAENC)</i>. 2022 International Workshop on Acoustic Signal Enhancement (IWAENC).","mla":"Cord-Landwehr, Tobias, et al. “Monaural Source Separation: From Anechoic to Reverberant Environments.” <i>2022 International Workshop on Acoustic Signal Enhancement (IWAENC)</i>, IEEE, 2022.","ieee":"T. Cord-Landwehr, C. Boeddeker, T. von Neumann, C. Zorila, R. Doddipatla, and R. Haeb-Umbach, “Monaural source separation: From anechoic to reverberant environments,” presented at the 2022 International Workshop on Acoustic Signal Enhancement (IWAENC), 2022."},"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"Automatische Transkription von Gesprächssituationen","_id":"508","grant_number":"448568305"}],"external_id":{"arxiv":["2111.07578"]},"place":"Bamberg","oa":"1","year":"2022","title":"Monaural source separation: From anechoic to reverberant environments","author":[{"id":"44393","last_name":"Cord-Landwehr","first_name":"Tobias","full_name":"Cord-Landwehr, Tobias"},{"id":"40767","last_name":"Boeddeker","first_name":"Christoph","full_name":"Boeddeker, Christoph"},{"id":"49870","last_name":"von Neumann","orcid":"https://orcid.org/0000-0002-7717-8670","first_name":"Thilo","full_name":"von Neumann, Thilo"},{"full_name":"Zorila, Catalin","last_name":"Zorila","first_name":"Catalin"},{"first_name":"Rama","last_name":"Doddipatla","full_name":"Doddipatla, Rama"},{"full_name":"Haeb-Umbach, Reinhold","first_name":"Reinhold","last_name":"Haeb-Umbach","id":"242"}],"date_updated":"2025-02-12T09:05:25Z","language":[{"iso":"eng"}],"publication":"2022 International Workshop on Acoustic Signal Enhancement (IWAENC)","abstract":[{"text":"Impressive progress in neural network-based single-channel speech source\r\nseparation has been made in recent years. But those improvements have been\r\nmostly reported on anechoic data, a situation that is hardly met in practice.\r\nTaking the SepFormer as a starting point, which achieves state-of-the-art\r\nperformance on anechoic mixtures, we gradually modify it to optimize its\r\nperformance on reverberant mixtures. Although this leads to a word error rate\r\nimprovement by 7 percentage points compared to the standard SepFormer\r\nimplementation, the system ends up with only marginally better performance than\r\na PIT-BLSTM separation system, that is optimized with rather straightforward\r\nmeans. This is surprising and at the same time sobering, challenging the\r\npractical usefulness of many improvements reported in recent years for monaural\r\nsource separation on nonreverberant data.","lang":"eng"}],"file":[{"file_id":"48930","content_type":"application/pdf","relation":"main_file","date_updated":"2023-11-15T14:52:16Z","file_name":"monaural_source_separation.pdf","file_size":212890,"access_level":"open_access","date_created":"2023-11-15T14:52:16Z","creator":"cord"}],"date_created":"2022-10-20T14:07:28Z","type":"conference","department":[{"_id":"54"}]},{"doi":"10.1109/icassp43922.2022.9746757","language":[{"iso":"eng"}],"date_updated":"2025-02-12T09:08:14Z","publication_status":"published","author":[{"full_name":"von Neumann, Thilo","orcid":"https://orcid.org/0000-0002-7717-8670","last_name":"von Neumann","first_name":"Thilo","id":"49870"},{"first_name":"Keisuke","last_name":"Kinoshita","full_name":"Kinoshita, Keisuke"},{"full_name":"Boeddeker, Christoph","last_name":"Boeddeker","first_name":"Christoph","id":"40767"},{"full_name":"Delcroix, Marc","first_name":"Marc","last_name":"Delcroix"},{"id":"242","full_name":"Haeb-Umbach, Reinhold","last_name":"Haeb-Umbach","first_name":"Reinhold"}],"title":"SA-SDR: A Novel Loss Function for Separation of Meeting Style Data","year":"2022","department":[{"_id":"54"}],"type":"conference","date_created":"2022-10-20T05:29:12Z","file":[{"date_created":"2022-10-20T05:33:10Z","creator":"tvn","file_id":"33820","content_type":"application/pdf","relation":"main_file","date_updated":"2022-10-20T05:33:10Z","file_name":"main.pdf","access_level":"open_access","file_size":228069},{"file_id":"33821","content_type":"application/pdf","file_name":"poster.pdf","file_size":229166,"access_level":"open_access","relation":"poster","date_updated":"2022-10-20T05:35:32Z","date_created":"2022-10-20T05:35:32Z","creator":"tvn"}],"related_material":{"link":[{"url":"https://github.com/fgnt/graph_pit","relation":"supplementary_material"}]},"publication":"ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)","ddc":["000"],"user_id":"40767","_id":"33819","publisher":"IEEE","has_accepted_license":"1","status":"public","oa":"1","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"Automatische Transkription von Gesprächssituationen","_id":"508","grant_number":"448568305"}],"quality_controlled":"1","citation":{"bibtex":"@inproceedings{von Neumann_Kinoshita_Boeddeker_Delcroix_Haeb-Umbach_2022, title={SA-SDR: A Novel Loss Function for Separation of Meeting Style Data}, DOI={<a href=\"https://doi.org/10.1109/icassp43922.2022.9746757\">10.1109/icassp43922.2022.9746757</a>}, booktitle={ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)}, publisher={IEEE}, author={von Neumann, Thilo and Kinoshita, Keisuke and Boeddeker, Christoph and Delcroix, Marc and Haeb-Umbach, Reinhold}, year={2022} }","chicago":"Neumann, Thilo von, Keisuke Kinoshita, Christoph Boeddeker, Marc Delcroix, and Reinhold Haeb-Umbach. “SA-SDR: A Novel Loss Function for Separation of Meeting Style Data.” In <i>ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)</i>. IEEE, 2022. <a href=\"https://doi.org/10.1109/icassp43922.2022.9746757\">https://doi.org/10.1109/icassp43922.2022.9746757</a>.","ama":"von Neumann T, Kinoshita K, Boeddeker C, Delcroix M, Haeb-Umbach R. SA-SDR: A Novel Loss Function for Separation of Meeting Style Data. In: <i>ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)</i>. IEEE; 2022. doi:<a href=\"https://doi.org/10.1109/icassp43922.2022.9746757\">10.1109/icassp43922.2022.9746757</a>","short":"T. von Neumann, K. Kinoshita, C. Boeddeker, M. Delcroix, R. Haeb-Umbach, in: ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), IEEE, 2022.","ieee":"T. von Neumann, K. Kinoshita, C. Boeddeker, M. Delcroix, and R. Haeb-Umbach, “SA-SDR: A Novel Loss Function for Separation of Meeting Style Data,” 2022, doi: <a href=\"https://doi.org/10.1109/icassp43922.2022.9746757\">10.1109/icassp43922.2022.9746757</a>.","mla":"von Neumann, Thilo, et al. “SA-SDR: A Novel Loss Function for Separation of Meeting Style Data.” <i>ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)</i>, IEEE, 2022, doi:<a href=\"https://doi.org/10.1109/icassp43922.2022.9746757\">10.1109/icassp43922.2022.9746757</a>.","apa":"von Neumann, T., Kinoshita, K., Boeddeker, C., Delcroix, M., &#38; Haeb-Umbach, R. (2022). SA-SDR: A Novel Loss Function for Separation of Meeting Style Data. <i>ICASSP 2022 - 2022 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)</i>. <a href=\"https://doi.org/10.1109/icassp43922.2022.9746757\">https://doi.org/10.1109/icassp43922.2022.9746757</a>"},"file_date_updated":"2022-10-20T05:35:32Z"},{"date_updated":"2025-02-12T09:03:42Z","has_accepted_license":"1","status":"public","title":"A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network","year":"2022","author":[{"id":"44006","full_name":"Gburrek, Tobias","first_name":"Tobias","last_name":"Gburrek"},{"id":"40767","first_name":"Christoph","last_name":"Boeddeker","full_name":"Boeddeker, Christoph"},{"orcid":"https://orcid.org/0000-0002-7717-8670","last_name":"von Neumann","first_name":"Thilo","full_name":"von Neumann, Thilo","id":"49870"},{"id":"44393","full_name":"Cord-Landwehr, Tobias","last_name":"Cord-Landwehr","first_name":"Tobias"},{"id":"460","first_name":"Joerg","last_name":"Schmalenstroeer","full_name":"Schmalenstroeer, Joerg"},{"id":"242","full_name":"Haeb-Umbach, Reinhold","first_name":"Reinhold","last_name":"Haeb-Umbach"}],"doi":"10.48550/ARXIV.2205.00944","ddc":["004"],"user_id":"40767","_id":"33816","language":[{"iso":"eng"}],"publisher":"arXiv","project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"Automatische Transkription von Gesprächssituationen","grant_number":"448568305","_id":"508"}],"file_date_updated":"2023-11-17T06:42:04Z","citation":{"apa":"Gburrek, T., Boeddeker, C., von Neumann, T., Cord-Landwehr, T., Schmalenstroeer, J., &#38; Haeb-Umbach, R. (2022). <i>A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network</i>. arXiv. <a href=\"https://doi.org/10.48550/ARXIV.2205.00944\">https://doi.org/10.48550/ARXIV.2205.00944</a>","mla":"Gburrek, Tobias, et al. <i>A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network</i>. arXiv, 2022, doi:<a href=\"https://doi.org/10.48550/ARXIV.2205.00944\">10.48550/ARXIV.2205.00944</a>.","ieee":"T. Gburrek, C. Boeddeker, T. von Neumann, T. Cord-Landwehr, J. Schmalenstroeer, and R. Haeb-Umbach, <i>A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network</i>. arXiv, 2022.","chicago":"Gburrek, Tobias, Christoph Boeddeker, Thilo von Neumann, Tobias Cord-Landwehr, Joerg Schmalenstroeer, and Reinhold Haeb-Umbach. <i>A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network</i>. arXiv, 2022. <a href=\"https://doi.org/10.48550/ARXIV.2205.00944\">https://doi.org/10.48550/ARXIV.2205.00944</a>.","ama":"Gburrek T, Boeddeker C, von Neumann T, Cord-Landwehr T, Schmalenstroeer J, Haeb-Umbach R. <i>A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network</i>. arXiv; 2022. doi:<a href=\"https://doi.org/10.48550/ARXIV.2205.00944\">10.48550/ARXIV.2205.00944</a>","short":"T. Gburrek, C. Boeddeker, T. von Neumann, T. Cord-Landwehr, J. Schmalenstroeer, R. Haeb-Umbach, A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network, arXiv, 2022.","bibtex":"@book{Gburrek_Boeddeker_von Neumann_Cord-Landwehr_Schmalenstroeer_Haeb-Umbach_2022, title={A Meeting Transcription System for an Ad-Hoc Acoustic Sensor Network}, DOI={<a href=\"https://doi.org/10.48550/ARXIV.2205.00944\">10.48550/ARXIV.2205.00944</a>}, publisher={arXiv}, author={Gburrek, Tobias and Boeddeker, Christoph and von Neumann, Thilo and Cord-Landwehr, Tobias and Schmalenstroeer, Joerg and Haeb-Umbach, Reinhold}, year={2022} }"},"type":"misc","oa":"1","department":[{"_id":"54"}],"file":[{"relation":"main_file","date_updated":"2023-11-17T06:42:04Z","file_name":"meeting_transcription_22.pdf","file_size":199006,"access_level":"open_access","file_id":"48992","content_type":"application/pdf","creator":"tgburrek","date_created":"2023-11-17T06:42:04Z"}],"date_created":"2022-10-18T11:10:58Z"},{"_id":"33954","publisher":"ISCA","language":[{"iso":"eng"}],"main_file_link":[{"url":"https://www.isca-archive.org/interspeech_2022/boeddeker22_interspeech.pdf","open_access":"1"}],"user_id":"40767","doi":"10.21437/interspeech.2022-10929","author":[{"first_name":"Christoph","last_name":"Boeddeker","full_name":"Boeddeker, Christoph","id":"40767"},{"id":"44393","first_name":"Tobias","last_name":"Cord-Landwehr","full_name":"Cord-Landwehr, Tobias"},{"id":"49870","full_name":"von Neumann, Thilo","orcid":"https://orcid.org/0000-0002-7717-8670","last_name":"von Neumann","first_name":"Thilo"},{"first_name":"Reinhold","last_name":"Haeb-Umbach","full_name":"Haeb-Umbach, Reinhold","id":"242"}],"title":"An Initialization Scheme for Meeting Separation with Spatial Mixture Models","status":"public","year":"2022","publication_status":"published","date_updated":"2025-02-12T09:06:56Z","date_created":"2022-10-28T10:53:56Z","department":[{"_id":"54"}],"oa":"1","type":"conference","citation":{"short":"C. Boeddeker, T. Cord-Landwehr, T. von Neumann, R. Haeb-Umbach, in: Interspeech 2022, ISCA, 2022.","chicago":"Boeddeker, Christoph, Tobias Cord-Landwehr, Thilo von Neumann, and Reinhold Haeb-Umbach. “An Initialization Scheme for Meeting Separation with Spatial Mixture Models.” In <i>Interspeech 2022</i>. ISCA, 2022. <a href=\"https://doi.org/10.21437/interspeech.2022-10929\">https://doi.org/10.21437/interspeech.2022-10929</a>.","ieee":"C. Boeddeker, T. Cord-Landwehr, T. von Neumann, and R. Haeb-Umbach, “An Initialization Scheme for Meeting Separation with Spatial Mixture Models,” 2022, doi: <a href=\"https://doi.org/10.21437/interspeech.2022-10929\">10.21437/interspeech.2022-10929</a>.","apa":"Boeddeker, C., Cord-Landwehr, T., von Neumann, T., &#38; Haeb-Umbach, R. (2022). An Initialization Scheme for Meeting Separation with Spatial Mixture Models. <i>Interspeech 2022</i>. <a href=\"https://doi.org/10.21437/interspeech.2022-10929\">https://doi.org/10.21437/interspeech.2022-10929</a>","bibtex":"@inproceedings{Boeddeker_Cord-Landwehr_von Neumann_Haeb-Umbach_2022, title={An Initialization Scheme for Meeting Separation with Spatial Mixture Models}, DOI={<a href=\"https://doi.org/10.21437/interspeech.2022-10929\">10.21437/interspeech.2022-10929</a>}, booktitle={Interspeech 2022}, publisher={ISCA}, author={Boeddeker, Christoph and Cord-Landwehr, Tobias and von Neumann, Thilo and Haeb-Umbach, Reinhold}, year={2022} }","ama":"Boeddeker C, Cord-Landwehr T, von Neumann T, Haeb-Umbach R. An Initialization Scheme for Meeting Separation with Spatial Mixture Models. In: <i>Interspeech 2022</i>. ISCA; 2022. doi:<a href=\"https://doi.org/10.21437/interspeech.2022-10929\">10.21437/interspeech.2022-10929</a>","mla":"Boeddeker, Christoph, et al. “An Initialization Scheme for Meeting Separation with Spatial Mixture Models.” <i>Interspeech 2022</i>, ISCA, 2022, doi:<a href=\"https://doi.org/10.21437/interspeech.2022-10929\">10.21437/interspeech.2022-10929</a>."},"publication":"Interspeech 2022","project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"Automatische Transkription von Gesprächssituationen","grant_number":"448568305","_id":"508"}]},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"short":"M. Meyer, in: Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies, 2021.","chicago":"Meyer, Marius. “Towards Performance Characterization of FPGAs in Context of HPC Using OpenCL Benchmarks.” In <i>Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies</i>, 2021. <a href=\"https://doi.org/10.1145/3468044.3468058\">https://doi.org/10.1145/3468044.3468058</a>.","apa":"Meyer, M. (2021). Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks. <i>Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies</i>. <a href=\"https://doi.org/10.1145/3468044.3468058\">https://doi.org/10.1145/3468044.3468058</a>","ieee":"M. Meyer, “Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks,” 2021, doi: <a href=\"https://doi.org/10.1145/3468044.3468058\">10.1145/3468044.3468058</a>.","ama":"Meyer M. Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks. In: <i>Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies</i>. ; 2021. doi:<a href=\"https://doi.org/10.1145/3468044.3468058\">10.1145/3468044.3468058</a>","bibtex":"@inproceedings{Meyer_2021, title={Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks}, DOI={<a href=\"https://doi.org/10.1145/3468044.3468058\">10.1145/3468044.3468058</a>}, booktitle={Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies}, author={Meyer, Marius}, year={2021} }","mla":"Meyer, Marius. “Towards Performance Characterization of FPGAs in Context of HPC Using OpenCL Benchmarks.” <i>Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies</i>, 2021, doi:<a href=\"https://doi.org/10.1145/3468044.3468058\">10.1145/3468044.3468058</a>."},"publication":"Proceedings of the 11th International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies","department":[{"_id":"27"}],"type":"conference","date_created":"2021-11-10T14:42:17Z","publication_status":"published","date_updated":"2022-01-06T06:57:38Z","author":[{"last_name":"Meyer","first_name":"Marius","full_name":"Meyer, Marius","id":"40778"}],"status":"public","year":"2021","title":"Towards Performance Characterization of FPGAs in Context of HPC using OpenCL Benchmarks","user_id":"40778","doi":"10.1145/3468044.3468058","language":[{"iso":"eng"}],"_id":"27365"},{"user_id":"5786","doi":"10.1109/tpami.2021.3051276","page":"1-1","language":[{"iso":"eng"}],"_id":"21004","publication_status":"published","date_updated":"2022-01-06T06:54:42Z","title":"AutoML for Multi-Label Classification: Overview and Empirical Evaluation","year":"2021","status":"public","author":[{"id":"33176","first_name":"Marcel Dominik","last_name":"Wever","orcid":" https://orcid.org/0000-0001-9782-6818","full_name":"Wever, Marcel Dominik"},{"id":"38209","last_name":"Tornede","first_name":"Alexander","full_name":"Tornede, Alexander"},{"first_name":"Felix","last_name":"Mohr","full_name":"Mohr, Felix"},{"id":"48129","first_name":"Eyke","last_name":"Hüllermeier","full_name":"Hüllermeier, Eyke"}],"publication_identifier":{"issn":["0162-8828","2160-9292","1939-3539"]},"keyword":["Automated Machine Learning","Multi Label Classification","Hierarchical Planning","Bayesian Optimization"],"type":"journal_article","department":[{"_id":"34"},{"_id":"355"},{"_id":"26"}],"date_created":"2021-01-16T14:48:13Z","abstract":[{"lang":"eng","text":"Automated machine learning (AutoML) supports the algorithmic construction and data-specific customization of machine learning pipelines, including the selection, combination, and parametrization of machine learning algorithms as main constituents. Generally speaking, AutoML approaches comprise two major components: a search space model and an optimizer for traversing the space. Recent approaches have shown impressive results in the realm of supervised learning, most notably (single-label) classification (SLC). Moreover, first attempts at extending these approaches towards multi-label classification (MLC) have been made. While the space of candidate pipelines is already huge in SLC, the complexity of the search space is raised to an even higher power in MLC. One may wonder, therefore, whether and to what extent optimizers established for SLC can scale to this increased complexity, and how they compare to each other. This paper makes the following contributions: First, we survey existing approaches to AutoML for MLC. Second, we augment these approaches with optimizers not previously tried for MLC. Third, we propose a benchmarking framework that supports a fair and systematic comparison. Fourth, we conduct an extensive experimental study, evaluating the methods on a suite of MLC problems. We find a grammar-based best-first search to compare favorably to other optimizers."}],"project":[{"_id":"1","name":"SFB 901"},{"_id":"3","name":"SFB 901 - Project Area B"},{"name":"SFB 901 - Subproject B2","_id":"10"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"IEEE Transactions on Pattern Analysis and Machine Intelligence","citation":{"mla":"Wever, Marcel Dominik, et al. “AutoML for Multi-Label Classification: Overview and Empirical Evaluation.” <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>, 2021, pp. 1–1, doi:<a href=\"https://doi.org/10.1109/tpami.2021.3051276\">10.1109/tpami.2021.3051276</a>.","apa":"Wever, M. D., Tornede, A., Mohr, F., &#38; Hüllermeier, E. (2021). AutoML for Multi-Label Classification: Overview and Empirical Evaluation. <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>, 1–1. <a href=\"https://doi.org/10.1109/tpami.2021.3051276\">https://doi.org/10.1109/tpami.2021.3051276</a>","ieee":"M. D. Wever, A. Tornede, F. Mohr, and E. Hüllermeier, “AutoML for Multi-Label Classification: Overview and Empirical Evaluation,” <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>, pp. 1–1, 2021, doi: <a href=\"https://doi.org/10.1109/tpami.2021.3051276\">10.1109/tpami.2021.3051276</a>.","chicago":"Wever, Marcel Dominik, Alexander Tornede, Felix Mohr, and Eyke Hüllermeier. “AutoML for Multi-Label Classification: Overview and Empirical Evaluation.” <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>, 2021, 1–1. <a href=\"https://doi.org/10.1109/tpami.2021.3051276\">https://doi.org/10.1109/tpami.2021.3051276</a>.","short":"M.D. Wever, A. Tornede, F. Mohr, E. Hüllermeier, IEEE Transactions on Pattern Analysis and Machine Intelligence (2021) 1–1.","ama":"Wever MD, Tornede A, Mohr F, Hüllermeier E. AutoML for Multi-Label Classification: Overview and Empirical Evaluation. <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>. Published online 2021:1-1. doi:<a href=\"https://doi.org/10.1109/tpami.2021.3051276\">10.1109/tpami.2021.3051276</a>","bibtex":"@article{Wever_Tornede_Mohr_Hüllermeier_2021, title={AutoML for Multi-Label Classification: Overview and Empirical Evaluation}, DOI={<a href=\"https://doi.org/10.1109/tpami.2021.3051276\">10.1109/tpami.2021.3051276</a>}, journal={IEEE Transactions on Pattern Analysis and Machine Intelligence}, author={Wever, Marcel Dominik and Tornede, Alexander and Mohr, Felix and Hüllermeier, Eyke}, year={2021}, pages={1–1} }"}},{"volume":109,"user_id":"59789","ddc":["000"],"_id":"21065","page":"124-148","has_accepted_license":"1","status":"public","oa":"1","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Haeb-Umbach, Reinhold, et al. “Far-Field Automatic Speech Recognition.” <i>Proceedings of the IEEE</i>, vol. 109, no. 2, 2021, pp. 124–48, doi:<a href=\"https://doi.org/10.1109/JPROC.2020.3018668\">10.1109/JPROC.2020.3018668</a>.","bibtex":"@article{Haeb-Umbach_Heymann_Drude_Watanabe_Delcroix_Nakatani_2021, title={Far-Field Automatic Speech Recognition}, volume={109}, DOI={<a href=\"https://doi.org/10.1109/JPROC.2020.3018668\">10.1109/JPROC.2020.3018668</a>}, number={2}, journal={Proceedings of the IEEE}, author={Haeb-Umbach, Reinhold and Heymann, Jahn and Drude, Lukas and Watanabe, Shinji and Delcroix, Marc and Nakatani, Tomohiro}, year={2021}, pages={124–148} }","ama":"Haeb-Umbach R, Heymann J, Drude L, Watanabe S, Delcroix M, Nakatani T. Far-Field Automatic Speech Recognition. <i>Proceedings of the IEEE</i>. 2021;109(2):124-148. doi:<a href=\"https://doi.org/10.1109/JPROC.2020.3018668\">10.1109/JPROC.2020.3018668</a>","ieee":"R. Haeb-Umbach, J. Heymann, L. Drude, S. Watanabe, M. Delcroix, and T. Nakatani, “Far-Field Automatic Speech Recognition,” <i>Proceedings of the IEEE</i>, vol. 109, no. 2, pp. 124–148, 2021.","apa":"Haeb-Umbach, R., Heymann, J., Drude, L., Watanabe, S., Delcroix, M., &#38; Nakatani, T. (2021). Far-Field Automatic Speech Recognition. <i>Proceedings of the IEEE</i>, <i>109</i>(2), 124–148. <a href=\"https://doi.org/10.1109/JPROC.2020.3018668\">https://doi.org/10.1109/JPROC.2020.3018668</a>","short":"R. Haeb-Umbach, J. Heymann, L. Drude, S. Watanabe, M. Delcroix, T. Nakatani, Proceedings of the IEEE 109 (2021) 124–148.","chicago":"Haeb-Umbach, Reinhold, Jahn Heymann, Lukas Drude, Shinji Watanabe, Marc Delcroix, and Tomohiro Nakatani. “Far-Field Automatic Speech Recognition.” <i>Proceedings of the IEEE</i> 109, no. 2 (2021): 124–48. <a href=\"https://doi.org/10.1109/JPROC.2020.3018668\">https://doi.org/10.1109/JPROC.2020.3018668</a>."},"file_date_updated":"2021-01-25T08:17:23Z","doi":"10.1109/JPROC.2020.3018668","language":[{"iso":"eng"}],"intvolume":"       109","date_updated":"2022-01-06T06:54:44Z","author":[{"id":"242","full_name":"Haeb-Umbach, Reinhold","last_name":"Haeb-Umbach","first_name":"Reinhold"},{"last_name":"Heymann","first_name":"Jahn","full_name":"Heymann, Jahn"},{"first_name":"Lukas","last_name":"Drude","full_name":"Drude, Lukas"},{"full_name":"Watanabe, Shinji","first_name":"Shinji","last_name":"Watanabe"},{"last_name":"Delcroix","first_name":"Marc","full_name":"Delcroix, Marc"},{"last_name":"Nakatani","first_name":"Tomohiro","full_name":"Nakatani, Tomohiro"}],"title":"Far-Field Automatic Speech Recognition","year":"2021","department":[{"_id":"54"}],"type":"journal_article","date_created":"2021-01-25T08:15:27Z","file":[{"creator":"huesera","date_created":"2021-01-25T08:17:23Z","file_name":"proceedings_2021_haebumbach_Paper.pdf","access_level":"open_access","file_size":4173988,"relation":"main_file","date_updated":"2021-01-25T08:17:23Z","file_id":"21066","content_type":"application/pdf"}],"abstract":[{"text":"The machine recognition of speech spoken at a distance from the microphones, known as far-field automatic speech recognition (ASR), has received a significant increase of attention in science and industry, which caused or was caused by an equally significant improvement in recognition accuracy. Meanwhile it has entered the consumer market with digital home assistants with a spoken language interface being its most prominent application. Speech recorded at a distance is affected by various acoustic distortions and, consequently, quite different processing pipelines have emerged compared to ASR for close-talk speech. A signal enhancement front-end for dereverberation, source separation and acoustic beamforming is employed to clean up the speech, and the back-end ASR engine is robustified by multi-condition training and adaptation. We will also describe the so-called end-to-end approach to ASR, which is a new promising architecture that has recently been extended to the far-field scenario. This tutorial article gives an account of the algorithms used to enable accurate speech recognition from a distance, and it will be seen that, although deep learning has a significant share in the technological breakthroughs, a clever combination with traditional signal processing can lead to surprisingly effective solutions.","lang":"eng"}],"issue":"2","publication":"Proceedings of the IEEE"},{"department":[{"_id":"34"},{"_id":"355"},{"_id":"26"}],"type":"journal_article","date_created":"2021-01-27T13:45:52Z","project":[{"_id":"1","name":"SFB 901"},{"name":"SFB 901 - Project Area B","_id":"3"},{"name":"SFB 901 - Subproject B2","_id":"10"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"abstract":[{"text":"Automated Machine Learning (AutoML) seeks to automatically find so-called machine learning pipelines that maximize the prediction performance when being used to train a model on a given dataset. One of the main and yet open challenges in AutoML is an effective use of computational resources: An AutoML process involves the evaluation of many candidate pipelines, which   are costly but often ineffective because they are canceled due to a timeout.\r\nIn this paper, we present an approach to predict the runtime of two-step machine learning pipelines with up to one pre-processor, which can be used to anticipate whether or not a pipeline will time out. Separate runtime models are trained offline for each algorithm that may be used in a pipeline, and an overall prediction is derived from these models. We empirically show that the approach increases successful evaluations made by an AutoML tool while preserving or even improving on the previously best solutions.","lang":"eng"}],"citation":{"apa":"Mohr, F., Wever, M. D., Tornede, A., &#38; Hüllermeier, E. (n.d.). Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning. <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>.","ieee":"F. Mohr, M. D. Wever, A. Tornede, and E. Hüllermeier, “Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning,” <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>.","short":"F. Mohr, M.D. Wever, A. Tornede, E. Hüllermeier, IEEE Transactions on Pattern Analysis and Machine Intelligence (n.d.).","chicago":"Mohr, Felix, Marcel Dominik Wever, Alexander Tornede, and Eyke Hüllermeier. “Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning.” <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>, n.d.","mla":"Mohr, Felix, et al. “Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning.” <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>, IEEE.","ama":"Mohr F, Wever MD, Tornede A, Hüllermeier E. Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning. <i>IEEE Transactions on Pattern Analysis and Machine Intelligence</i>.","bibtex":"@article{Mohr_Wever_Tornede_Hüllermeier, title={Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning}, journal={IEEE Transactions on Pattern Analysis and Machine Intelligence}, publisher={IEEE}, author={Mohr, Felix and Wever, Marcel Dominik and Tornede, Alexander and Hüllermeier, Eyke} }"},"publication":"IEEE Transactions on Pattern Analysis and Machine Intelligence","user_id":"5786","language":[{"iso":"eng"}],"_id":"21092","publisher":"IEEE","publication_status":"accepted","date_updated":"2022-01-06T06:54:45Z","author":[{"first_name":"Felix","last_name":"Mohr","full_name":"Mohr, Felix"},{"id":"33176","orcid":" https://orcid.org/0000-0001-9782-6818","last_name":"Wever","first_name":"Marcel Dominik","full_name":"Wever, Marcel Dominik"},{"id":"38209","last_name":"Tornede","first_name":"Alexander","full_name":"Tornede, Alexander"},{"full_name":"Hüllermeier, Eyke","first_name":"Eyke","last_name":"Hüllermeier","id":"48129"}],"title":"Predicting Machine Learning Pipeline Runtimes in the Context of Automated Machine Learning","year":"2021","status":"public"},{"status":"public","user_id":"71692","volume":172,"page":"497-505","_id":"21207","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"ama":"Kossmann J, Piankova D, V. Tarakina N, et al. Guanine condensates as covalent materials and the concept of cryptopores. <i>Carbon</i>. 2021;172:497-505. doi:<a href=\"https://doi.org/10.1016/j.carbon.2020.10.047\">https://doi.org/10.1016/j.carbon.2020.10.047</a>","bibtex":"@article{Kossmann_Piankova_V. Tarakina_Heske_Kühne_Schmidt_Antonietti_López-Salas_2021, title={Guanine condensates as covalent materials and the concept of cryptopores}, volume={172}, DOI={<a href=\"https://doi.org/10.1016/j.carbon.2020.10.047\">https://doi.org/10.1016/j.carbon.2020.10.047</a>}, journal={Carbon}, author={Kossmann, Janina and Piankova, Diana and V. Tarakina, Nadezda and Heske, Julian Joachim and Kühne, Thomas and Schmidt, Johannes and Antonietti, Markus and López-Salas, Nieves}, year={2021}, pages={497–505} }","mla":"Kossmann, Janina, et al. “Guanine Condensates as Covalent Materials and the Concept of Cryptopores.” <i>Carbon</i>, vol. 172, 2021, pp. 497–505, doi:<a href=\"https://doi.org/10.1016/j.carbon.2020.10.047\">https://doi.org/10.1016/j.carbon.2020.10.047</a>.","short":"J. Kossmann, D. Piankova, N. V. Tarakina, J.J. Heske, T. Kühne, J. Schmidt, M. Antonietti, N. López-Salas, Carbon 172 (2021) 497–505.","chicago":"Kossmann, Janina, Diana Piankova, Nadezda V. Tarakina, Julian Joachim Heske, Thomas Kühne, Johannes Schmidt, Markus Antonietti, and Nieves López-Salas. “Guanine Condensates as Covalent Materials and the Concept of Cryptopores.” <i>Carbon</i> 172 (2021): 497–505. <a href=\"https://doi.org/10.1016/j.carbon.2020.10.047\">https://doi.org/10.1016/j.carbon.2020.10.047</a>.","apa":"Kossmann, J., Piankova, D., V. Tarakina, N., Heske, J. J., Kühne, T., Schmidt, J., … López-Salas, N. (2021). Guanine condensates as covalent materials and the concept of cryptopores. <i>Carbon</i>, <i>172</i>, 497–505. <a href=\"https://doi.org/10.1016/j.carbon.2020.10.047\">https://doi.org/10.1016/j.carbon.2020.10.047</a>","ieee":"J. Kossmann <i>et al.</i>, “Guanine condensates as covalent materials and the concept of cryptopores,” <i>Carbon</i>, vol. 172, pp. 497–505, 2021."},"date_updated":"2022-01-06T06:54:49Z","intvolume":"       172","title":"Guanine condensates as covalent materials and the concept of cryptopores","year":"2021","author":[{"full_name":"Kossmann, Janina","last_name":"Kossmann","first_name":"Janina"},{"first_name":"Diana","last_name":"Piankova","full_name":"Piankova, Diana"},{"full_name":"V. Tarakina, Nadezda","last_name":"V. Tarakina","first_name":"Nadezda"},{"id":"53238","full_name":"Heske, Julian Joachim","first_name":"Julian Joachim","last_name":"Heske"},{"full_name":"Kühne, Thomas","first_name":"Thomas","last_name":"Kühne","id":"49079"},{"last_name":"Schmidt","first_name":"Johannes","full_name":"Schmidt, Johannes"},{"last_name":"Antonietti","first_name":"Markus","full_name":"Antonietti, Markus"},{"full_name":"López-Salas, Nieves","first_name":"Nieves","last_name":"López-Salas"}],"publication_identifier":{"issn":["0008-6223"]},"doi":"https://doi.org/10.1016/j.carbon.2020.10.047","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"Simple thermal treatment of guanine at temperatures ranging from 600 to 700 °C leads to C1N1 condensates with unprecedented CO2/N2 selectivity when compared to other carbonaceous solid sorbents. Increasing the surface area of the CN condensates in the presence of ZnCl2 salt melts enhances the amount of CO2 adsorbed while preserving the high selectivity values and C1N1 structure. Results indicate that these new materials show a sorption mechanism a step closer to that of natural CO2 caption proteins and based on metal free structural cryptopores."}],"publication":"Carbon","keyword":["CN","Cryptopores","Carbon dioxide capture"],"type":"journal_article","department":[{"_id":"613"}],"date_created":"2021-02-11T15:00:58Z"}]